1
                    3D
 Structure written by MMmdl.
 65 68  0  0  1  0            999 V2000
   -1.4090   12.5310   22.9940 C   0  0  0  0  0  0
   -2.6670   12.1250   23.5100 C   0  0  0  0  0  0
   -2.7440   11.3780   24.7120 C   0  0  0  0  0  0
   -1.5490   11.0350   25.3990 C   0  0  0  0  0  0
   -0.2980   11.4690   24.8740 C   0  0  0  0  0  0
   -0.2180   12.2050   23.6950 C   0  0  0  0  0  0
    1.1390   12.6520   23.1610 C   0  0  0  0  0  0
    1.5350   13.9550   23.8710 C   0  0  0  0  0  0
    2.2390   11.5830   23.3670 C   0  0  0  0  0  0
   -1.3470   13.2320   21.8300 O   0  0  0  0  0  0
   -3.9480   10.9870   25.1940 O   0  0  0  0  0  0
   -1.5620   10.2060   26.6470 C   0  0  0  0  0  0
   -2.2450   10.3850   27.7860 O   0  0  0  0  0  0
   -2.0170    9.5130   28.6050 N   0  0  0  0  0  0
   -1.1550    8.6040   28.1750 C   0  0  0  0  0  0
   -0.8030    9.0230   26.8200 C   0  0  0  0  0  0
    0.1280    8.4120   25.8100 C   0  0  3  0  0  0
    1.6700    8.4370   25.9620 C   0  0  0  0  0  0
    2.4760    7.8920   24.9660 C   0  0  0  0  0  0
    1.9350    7.3020   23.7850 C   0  0  3  0  0  0
    0.5440    7.2300   23.5650 C   0  0  0  0  0  0
   -0.3660    7.7440   24.4960 C   0  0  0  0  0  0
    2.8830    6.7530   22.7350 C   0  0  0  0  0  0
    2.9780    5.2940   22.7600 N   0  3  0  0  0  0
    4.1220    4.8730   23.6370 C   0  0  0  0  0  0
    4.3390    3.3520   23.5500 C   0  0  0  0  0  0
    4.4870    2.9780   22.1570 O   0  0  0  0  0  0
    3.3470    3.2930   21.3150 C   0  0  0  0  0  0
    3.1120    4.8110   21.3510 C   0  0  0  0  0  0
   -0.6450    7.4220   28.9100 C   0  0  0  0  0  0
   -0.6110    7.4670   30.2710 N   0  0  0  0  0  0
   -0.2530    6.4350   28.2920 O   0  0  0  0  0  0
   -0.1080    6.3310   31.0670 C   0  0  0  0  0  0
   -0.0220    6.7380   32.5420 C   0  0  0  0  0  0
    0.6730    6.0780   33.0620 H   0  0  0  0  0  0
   -3.5810   12.3900   22.9780 H   0  0  0  0  0  0
    0.6190   11.2190   25.4080 H   0  0  0  0  0  0
    1.0490   12.8060   22.0860 H   0  0  0  0  0  0
    1.7280   13.7510   24.9240 H   0  0  0  0  0  0
    2.5100   11.1500   22.4040 H   0  0  0  0  0  0
   -1.9600   13.9700   21.8670 H   0  0  0  0  0  0
   -4.1960   11.5490   25.9310 H   0  0  0  0  0  0
    2.1230    8.8810   26.8480 H   0  0  0  0  0  0
    3.5580    7.9170   25.0930 H   0  0  0  0  0  0
    0.1700    6.7650   22.6530 H   0  0  0  0  0  0
   -1.4350    7.6750   24.2970 H   0  0  0  0  0  0
    3.8750    7.1700   22.9090 H   0  0  0  0  0  0
    3.9020    5.1460   24.6690 H   0  0  0  0  0  0
    3.4810    2.8340   23.9800 H   0  0  0  0  0  0
    2.4620    2.7750   21.6860 H   0  0  0  0  0  0
    3.9550    5.3150   20.8780 H   0  0  0  0  0  0
   -0.9370    8.2960   30.7460 H   0  0  0  0  0  0
    0.8820    6.0460   30.7100 H   0  0  0  0  0  0
   -1.0090    6.6610   32.9990 H   0  0  0  0  0  0
    0.7240   14.6780   23.7830 H   0  0  0  0  0  0
    1.8660   10.7990   24.0260 H   0  0  0  0  0  0
    2.4900    7.0380   21.7590 H   0  0  0  0  0  0
    5.0280    5.3770   23.2990 H   0  0  0  0  0  0
    5.2360    3.0750   24.1040 H   0  0  0  0  0  0
    3.5420    2.9720   20.2920 H   0  0  0  0  0  0
    2.1890    5.0340   20.8160 H   0  0  0  0  0  0
   -0.7880    5.4860   30.9630 H   0  0  0  0  0  0
    0.3320    7.7660   32.6140 H   0  0  0  0  0  0
    2.4350   14.3610   23.4090 H   0  0  0  0  0  0
    3.1170   12.0480   23.8160 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 10  1  0  0  0
  2  3  2  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  8 55  1  0  0  0
  8 64  1  0  0  0
  9 40  1  0  0  0
  9 56  1  0  0  0
  9 65  1  0  0  0
 10 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 16  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 57  1  0  0  0
 24 25  1  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 58  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 26 59  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 28 60  1  0  0  0
 29 51  1  0  0  0
 29 61  1  0  0  0
 30 31  1  0  0  0
 30 32  2  0  0  0
 31 33  1  0  0  0
 31 52  1  0  0  0
 33 34  1  0  0  0
 33 53  1  0  0  0
 33 62  1  0  0  0
 34 35  1  0  0  0
 34 54  1  0  0  0
 34 63  1  0  0  0
M  CHG  1  24   1
M  END
> <s_m_entry_id>
1

> <s_m_entry_name>
HSP90-94-maestro.1

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
1

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
2
                    3D
 Structure written by MMmdl.
 44 46  0  0  1  0            999 V2000
   35.1100    5.6100   21.6240 C   0  0  0  0  0  0
   35.4350    6.2380   22.9030 O   0  0  0  0  0  0
   34.4180    6.7760   23.6490 C   0  0  0  0  0  0
   33.0590    6.7530   23.2680 C   0  0  0  0  0  0
   32.0940    7.3320   24.1290 C   0  0  0  0  0  0
   34.7730    7.3510   24.8900 C   0  0  0  0  0  0
   33.8030    7.9190   25.7240 C   0  0  0  0  0  0
   32.4480    7.9140   25.3780 C   0  0  0  0  0  0
   31.4680    8.5170   26.2370 C   0  0  0  0  0  0
   31.0410    8.0900   27.5120 C   0  0  0  0  0  0
   31.5650    6.9080   28.2960 C   0  0  0  0  0  0
   32.0520    5.9280   27.7380 O   0  0  0  0  0  0
   31.5370    7.0580   29.6330 N   0  0  0  0  0  0
   32.0110    5.9860   30.5390 C   0  0  0  0  0  0
   33.4920    6.2160   30.8900 C   0  0  0  0  0  0
   30.0930    8.8920   28.0040 N   0  0  0  0  0  0
   30.7040    9.6700   25.9840 C   0  0  0  0  0  0
   30.7220   10.4920   24.8390 C   0  0  0  0  0  0
   31.9450   11.0010   24.3910 C   0  0  0  0  0  0
   32.0160   11.8130   23.2580 C   0  0  0  0  0  0
   33.5480   12.4520   22.7020 Cl  0  0  0  0  0  0
   30.8300   12.1310   22.5810 C   0  0  0  0  0  0
   30.8780   12.8740   21.4710 O   0  0  0  0  0  0
   29.5990   11.6240   23.0020 C   0  0  0  0  0  0
   29.5450   10.8400   24.1630 C   0  0  0  0  0  0
   28.3380   10.3530   24.5620 O   0  0  0  0  0  0
   29.8850    9.8740   27.0470 O   0  0  0  0  0  0
   36.0310    5.2320   21.1560 H   0  0  0  0  0  0
   34.6390    6.3510   20.9610 H   0  0  0  0  0  0
   34.4150    4.7740   21.7920 H   0  0  0  0  0  0
   32.7680    6.2990   22.3320 H   0  0  0  0  0  0
   31.0520    7.3410   23.8440 H   0  0  0  0  0  0
   35.8050    7.3560   25.2070 H   0  0  0  0  0  0
   34.0940    8.3750   26.6590 H   0  0  0  0  0  0
   31.1520    8.0000   30.0500 H   0  0  0  0  0  0
   31.4130    5.9950   31.4620 H   0  0  0  0  0  0
   31.9030    5.0110   30.0420 H   0  0  0  0  0  0
   33.8380    5.4170   31.5630 H   0  0  0  0  0  0
   33.6030    7.1900   31.3890 H   0  0  0  0  0  0
   34.0930    6.2050   29.9690 H   0  0  0  0  0  0
   32.8550   10.7670   24.9240 H   0  0  0  0  0  0
   29.9500   13.1260   20.9370 H   0  0  0  0  0  0
   28.7050   11.8370   22.4350 H   0  0  0  0  0  0
   27.4240   10.6370   24.0200 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  8  2  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 17  2  0  0  0
 10 11  1  0  0  0
 10 16  2  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 27  1  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 18 25  2  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 22 23  1  0  0  0
 22 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 26 44  1  0  0  0
M  END
> <s_m_entry_id>
2

> <s_m_entry_name>
HSP90-94-maestro.2

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
2

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
3
                    3D
 Structure written by MMmdl.
 45 47  0  0  1  0            999 V2000
   35.0300    5.5210   21.5590 C   0  0  0  0  0  0
   35.4700    6.0780   22.7990 O   0  0  0  0  0  0
   34.4740    6.6820   23.5620 C   0  0  0  0  0  0
   33.1400    6.8550   23.1240 C   0  0  0  0  0  0
   32.1930    7.4710   23.9890 C   0  0  0  0  0  0
   34.8200    7.1250   24.8320 C   0  0  0  0  0  0
   33.8950    7.7530   25.6730 C   0  0  0  0  0  0
   32.5790    7.9360   25.2640 C   0  0  0  0  0  0
   31.6570    8.5710   26.1310 C   0  0  0  0  0  0
   31.3230    8.1960   27.4090 C   0  0  0  0  0  0
   31.8440    7.0080   28.2280 C   0  0  0  0  0  0
   32.3840    6.0480   27.7010 O   0  0  0  0  0  0
   31.6730    7.1410   29.5480 N   0  0  0  0  0  0
   32.0460    6.1200   30.5660 C   0  0  0  0  0  0
   33.4590    5.5720   30.3570 C   0  0  0  0  0  0
   30.4190    9.0730   27.8520 N   0  0  0  0  0  0
   30.1470    9.9480   26.9810 N   0  0  0  0  0  0
   30.8870    9.7460   25.8920 C   0  0  0  0  0  0
   30.8960   10.5090   24.7240 C   0  0  0  0  0  0
   32.0850   11.0070   24.2240 C   0  0  0  0  0  0
   32.0980   11.7910   23.0590 C   0  0  0  0  0  0
   33.5840   12.4180   22.4400 Cl  0  0  0  0  0  0
   30.9090   12.0920   22.4120 C   0  0  0  0  0  0
   30.9180   12.8280   21.2740 O   0  0  0  0  0  0
   29.7020   11.5950   22.9230 C   0  0  0  0  0  0
   29.7050   10.8360   24.0920 C   0  0  0  0  0  0
   28.5470   10.3880   24.5870 O   0  0  0  0  0  0
   35.8860    5.0710   21.0350 H   0  0  0  0  0  0
   34.5940    6.3150   20.9350 H   0  0  0  0  0  0
   34.2710    4.7490   21.7530 H   0  0  0  0  0  0
   32.8470    6.5210   22.1400 H   0  0  0  0  0  0
   31.1670    7.5870   23.6720 H   0  0  0  0  0  0
   35.8280    6.9880   25.1960 H   0  0  0  0  0  0
   34.2010    8.1000   26.6490 H   0  0  0  0  0  0
   31.2190    8.0920   29.8640 H   0  0  0  0  0  0
   32.0020    6.5690   31.5690 H   0  0  0  0  0  0
   31.3440    5.2750   30.5120 H   0  0  0  0  0  0
   33.6810    4.8250   31.1330 H   0  0  0  0  0  0
   34.1850    6.3960   30.4220 H   0  0  0  0  0  0
   33.5270    5.1010   29.3650 H   0  0  0  0  0  0
   30.0090    8.9750   28.8680 H   0  0  0  0  0  0
   33.0150   10.7940   24.7300 H   0  0  0  0  0  0
   29.9720   13.0640   20.7640 H   0  0  0  0  0  0
   28.7730   11.8010   22.4110 H   0  0  0  0  0  0
   27.6000   10.6450   24.0890 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  8  2  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 26  2  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 23 24  1  0  0  0
 23 25  2  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 26 27  1  0  0  0
 27 45  1  0  0  0
M  END
> <s_m_entry_id>
3

> <s_m_entry_name>
HSP90-94-maestro.3

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
3

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
4
                    3D
 Structure written by MMmdl.
 57 60  0  0  1  0            999 V2000
   -1.5900  -12.2070   27.3740 C   0  0  0  0  0  0
   -2.8270  -11.7890   26.9080 C   0  0  0  0  0  0
   -2.9240  -11.0550   25.7480 C   0  0  0  0  0  0
   -1.7720  -10.7400   25.0500 C   0  0  0  0  0  0
   -0.5290  -11.1430   25.5290 C   0  0  0  0  0  0
   -0.4690  -11.8770   26.6680 C   0  0  0  0  0  0
   -4.1080  -10.6630   25.2740 O   0  0  0  0  0  0
   -1.4780  -12.8970   28.5050 O   0  0  0  0  0  0
    1.0440  -12.4460   27.2890 C   0  0  0  0  0  0
   -1.8080   -9.9230   23.8450 C   0  0  0  0  0  0
   -2.4660  -10.0620   22.7120 O   0  0  0  0  0  0
   -2.2040   -9.1120   21.9420 N   0  0  0  0  0  0
   -1.3620   -8.2430   22.4490 C   0  0  0  0  0  0
   -1.0520   -8.7590   23.7460 C   0  0  0  0  0  0
   -0.7410   -7.0290   21.9020 C   0  0  0  0  0  0
   -0.5670   -7.0800   20.5860 N   0  0  0  0  0  0
   -0.3360   -6.1340   22.5820 O   0  0  0  0  0  0
    0.0280   -6.0540   19.7580 C   0  0  0  0  0  0
   -0.4740   -6.4040   18.3610 C   0  0  0  0  0  0
   -0.1740   -8.1700   24.7710 C   0  0  0  0  0  0
    1.2030   -8.1750   24.6410 C   0  0  0  0  0  0
    1.9790   -7.6390   25.6390 C   0  0  0  0  0  0
    1.4110   -7.0910   26.7610 C   0  0  0  0  0  0
    0.0540   -7.0950   26.8910 C   0  0  0  0  0  0
   -0.7370   -7.6120   25.9080 C   0  0  0  0  0  0
    2.2820   -6.5080   27.8440 C   0  0  0  0  0  0
    2.4930   -5.0660   27.7340 N   0  3  0  0  0  0
    3.2770   -4.7720   26.5270 C   0  0  0  0  0  0
    3.5860   -3.2770   26.4570 C   0  0  0  0  0  0
    4.2270   -2.8810   27.6630 O   0  0  0  0  0  0
    3.4740   -3.1110   28.8390 C   0  0  0  0  0  0
    3.2180   -4.6110   28.9200 C   0  0  0  0  0  0
   -3.7230  -12.0390   27.4560 H   0  0  0  0  0  0
    0.3700  -10.8710   24.9950 H   0  0  0  0  0  0
   -4.1620  -10.0770   24.3450 H   0  0  0  0  0  0
   -0.4870  -13.2190   28.8570 H   0  0  0  0  0  0
   -0.9270   -8.0140   20.1300 H   0  0  0  0  0  0
   -0.3170   -5.0650   20.0950 H   0  0  0  0  0  0
    1.1240   -6.1070   19.8390 H   0  0  0  0  0  0
   -0.0770   -5.6780   17.6360 H   0  0  0  0  0  0
   -1.5730   -6.3720   18.3480 H   0  0  0  0  0  0
   -0.1330   -7.4140   18.0910 H   0  0  0  0  0  0
    1.6610   -8.5980   23.7590 H   0  0  0  0  0  0
    3.0550   -7.6440   25.5480 H   0  0  0  0  0  0
   -0.4050   -6.6860   27.7790 H   0  0  0  0  0  0
   -1.8110   -7.5840   26.0210 H   0  0  0  0  0  0
    1.8200   -6.6920   28.8250 H   0  0  0  0  0  0
    3.2740   -6.9820   27.8120 H   0  0  0  0  0  0
    4.2210   -5.3360   26.5570 H   0  0  0  0  0  0
    2.7020   -5.0650   25.6360 H   0  0  0  0  0  0
    4.2490   -3.0790   25.6020 H   0  0  0  0  0  0
    2.6490   -2.7140   26.3320 H   0  0  0  0  0  0
    4.0460   -2.7670   29.7140 H   0  0  0  0  0  0
    2.5250   -2.5580   28.7810 H   0  0  0  0  0  0
    2.6220   -4.8260   29.8190 H   0  0  0  0  0  0
    4.1820   -5.1370   28.9850 H   0  0  0  0  0  0
    1.5240   -4.5490   27.6680 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  9  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
 10 11  1  0  0  0
 10 14  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 17  2  0  0  0
 16 18  1  0  0  0
 16 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 25  2  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 32  1  0  0  0
 27 57  1  0  0  0
 28 29  1  0  0  0
 28 49  1  0  0  0
 28 50  1  0  0  0
 29 30  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
M  CHG  1  27   1
M  END
> <s_m_entry_id>
4

> <s_m_entry_name>
HSP90-94-maestro.4

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
4

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
5
                    3D
 Structure written by MMmdl.
 31 33  0  0  1  0            999 V2000
    1.3490   11.9980   27.2110 C   0  0  0  0  0  0
    2.5940   11.6570   26.7170 C   0  0  0  0  0  0
    2.6790   10.8230   25.6140 C   0  0  0  0  0  0
    1.5260   10.4250   24.9290 C   0  0  0  0  0  0
    0.2840   10.7990   25.4180 C   0  0  0  0  0  0
    0.2150   11.6170   26.5100 C   0  0  0  0  0  0
    1.2510   12.7620   28.3390 O   0  0  0  0  0  0
    3.8990   10.5400   25.1280 O   0  0  0  0  0  0
    1.5590    9.4680   23.8200 C   0  0  0  0  0  0
    2.2640    9.5950   22.7320 N   0  0  0  0  0  0
    2.0380    8.4520   21.9600 N   0  0  0  0  0  0
    1.2120    7.6290   22.6270 C   0  0  0  0  0  0
    0.9020    8.2230   23.7960 N   0  0  0  0  0  0
    0.0720    7.6580   24.8100 C   0  0  0  0  0  0
    0.6210    6.7360   25.6900 C   0  0  0  0  0  0
   -0.1360    6.1490   26.7050 C   0  0  0  0  0  0
   -1.4540    6.5500   26.8930 C   0  0  0  0  0  0
   -2.0220    7.4940   26.0480 C   0  0  0  0  0  0
   -1.2570    8.0260   25.0110 C   0  0  0  0  0  0
    0.8270    6.5430   22.2390 O   0  0  0  0  0  0
    1.8750    6.2970   25.4470 F   0  0  0  0  0  0
   -1.5100   12.2040   26.9080 Br  0  0  0  0  0  0
    3.4860   12.0400   27.1900 H   0  0  0  0  0  0
   -0.6150   10.4440   24.9360 H   0  0  0  0  0  0
    4.0030    9.8810   24.2530 H   0  0  0  0  0  0
    2.5160    8.3510   20.9740 H   0  0  0  0  0  0
    0.3030    5.3900   27.3360 H   0  0  0  0  0  0
   -2.0380    6.1270   27.6970 H   0  0  0  0  0  0
   -3.0450    7.8080   26.1980 H   0  0  0  0  0  0
   -1.7240    8.7440   24.3530 H   0  0  0  0  0  0
    0.2610   13.0350   28.7340 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6 22  1  0  0  0
  7 31  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 20  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 19  2  0  0  0
 15 16  2  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 19  1  0  0  0
 18 29  1  0  0  0
 19 30  1  0  0  0
M  END
> <s_m_entry_id>
5

> <s_m_entry_name>
HSP90-94-maestro.5

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
5

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
6
                    3D
 Structure written by MMmdl.
 49 51  0  0  1  0            999 V2000
   68.0000   38.3310   27.4120 C   0  0  0  0  0  0
   69.1230   37.5260   26.9810 O   0  0  0  0  0  0
   63.6260   35.9080   21.6890 S   0  0  0  0  0  0
   65.2760   36.5620   21.4990 C   0  0  0  0  0  0
   65.7610   37.3530   20.4190 C   0  0  0  0  0  0
   64.9250   37.6670   19.4160 N   0  0  0  0  0  0
   62.3470   33.0800   25.8350 N   0  0  0  0  0  0
   63.2970   33.7920   25.1340 C   0  0  0  0  0  0
   64.6330   33.9280   25.6400 C   0  0  0  0  0  0
   62.9560   34.3560   23.9730 N   0  0  0  0  0  0
   64.9860   33.3030   26.8940 C   0  0  0  0  0  0
   65.2860   32.7980   27.8650 N   0  0  0  0  0  0
   63.8120   35.0670   23.2320 C   0  0  0  0  0  0
   65.1790   35.2950   23.6070 C   0  0  0  0  0  0
   65.9400   36.1110   22.6310 C   0  0  0  0  0  0
   67.2820   36.4320   22.8240 N   0  0  0  0  0  0
   68.7150   36.3050   26.4410 C   0  0  0  0  0  0
   69.6800   35.2430   26.4020 C   0  0  0  0  0  0
   69.3260   33.9660   25.8570 C   0  0  0  0  0  0
   68.0470   33.7130   25.3510 C   0  0  0  0  0  0
   67.0030   34.8620   25.3930 C   0  0  0  0  0  0
   67.3930   36.1050   25.9400 C   0  0  0  0  0  0
   65.6010   34.6890   24.8830 C   0  0  0  0  0  0
   70.9640   35.5160   26.9150 O   0  0  0  0  0  0
   71.9030   34.4310   26.7010 C   0  0  0  0  0  0
   66.9190   37.7530   20.3910 O   0  0  0  0  0  0
   68.4950   39.6950   27.9130 C   0  0  0  0  0  0
   68.8550   40.6060   26.7210 C   0  0  0  0  0  0
   68.1260   41.9370   26.8280 C   0  0  0  0  0  0
   68.1900   42.5920   27.8500 O   0  0  0  0  0  0
   67.4020   42.3970   25.7850 O   0  5  0  0  0  0
   67.3120   38.4830   26.5670 H   0  0  0  0  0  0
   67.4710   37.8160   28.2270 H   0  0  0  0  0  0
   65.2820   38.2770   18.5730 H   0  0  0  0  0  0
   63.8830   37.3140   19.4370 H   0  0  0  0  0  0
   61.3270   32.9840   25.4360 H   0  0  0  0  0  0
   62.6090   32.6080   26.7930 H   0  0  0  0  0  0
   67.8090   36.0750   23.7210 H   0  0  0  0  0  0
   67.8140   37.0420   22.0790 H   0  0  0  0  0  0
   70.0550   33.1700   25.8300 H   0  0  0  0  0  0
   67.8090   32.7400   24.9460 H   0  0  0  0  0  0
   66.6740   36.9100   25.9760 H   0  0  0  0  0  0
   72.8820   34.7050   27.1220 H   0  0  0  0  0  0
   72.0070   34.2440   25.6220 H   0  0  0  0  0  0
   71.5320   33.5220   27.1970 H   0  0  0  0  0  0
   67.7040   40.1770   28.5070 H   0  0  0  0  0  0
   69.3880   39.5540   28.5390 H   0  0  0  0  0  0
   69.9390   40.7920   26.7160 H   0  0  0  0  0  0
   68.5630   40.1130   25.7820 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 15  2  0  0  0
  5  6  1  0  0  0
  5 26  2  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 11  1  0  0  0
  9 23  2  0  0  0
 10 13  1  0  0  0
 11 12  3  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 22  2  0  0  0
 18 19  2  0  0  0
 18 24  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 22 42  1  0  0  0
 24 25  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 27 28  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
M  CHG  1  31  -1
M  END
> <s_m_entry_id>
6

> <s_m_entry_name>
HSP90-94-maestro.6

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
6

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
7
                    3D
 Structure written by MMmdl.
 40 42  0  0  1  0            999 V2000
   64.5810   32.3650   27.4190 C   0  0  0  0  0  0
   63.3210   32.8900   27.0350 C   0  0  0  0  0  0
   63.2170   33.7220   25.9030 C   0  0  0  0  0  0
   64.4000   34.0300   25.1340 C   0  0  0  0  0  0
   65.6580   33.4860   25.5270 C   0  0  0  0  0  0
   65.7460   32.6550   26.6550 C   0  0  0  0  0  0
   64.6640   31.5750   28.5240 O   0  0  0  0  0  0
   62.0030   34.2250   25.5460 O   0  0  0  0  0  0
   67.0830   32.0830   27.0590 C   0  0  0  0  0  0
   67.3490   30.8110   26.2340 C   0  0  0  0  0  0
   64.3210   34.9310   23.9480 C   0  0  0  0  0  0
   63.6240   34.7160   22.8530 N   0  0  0  0  0  0
   63.8140   35.7960   21.9810 N   0  0  0  0  0  0
   64.6490   36.6910   22.5560 C   0  0  0  0  0  0
   65.0010   36.1990   23.8010 C   0  0  0  0  0  0
   65.9240   36.8490   24.8350 C   0  0  0  0  0  0
   67.3130   37.0490   24.5340 C   0  0  0  0  0  0
   68.1690   37.6420   25.5040 C   0  0  0  0  0  0
   67.6610   38.0360   26.7640 C   0  0  0  0  0  0
   66.3020   37.8500   27.0710 C   0  0  0  0  0  0
   65.4280   37.2610   26.1230 C   0  0  0  0  0  0
   67.8030   36.6710   23.3220 F   0  0  0  0  0  0
   65.0960   37.9870   21.9240 C   0  0  0  0  0  0
   62.5050   32.6690   27.5690 H   0  0  0  0  0  0
   66.4810   33.6960   24.9990 H   0  0  0  0  0  0
   65.6350   31.1610   28.8330 H   0  0  0  0  0  0
   61.9150   34.8750   24.6630 H   0  0  0  0  0  0
   67.8720   32.8240   26.8660 H   0  0  0  0  0  0
   67.0670   31.8350   28.1310 H   0  0  0  0  0  0
   68.3220   30.3850   26.5200 H   0  0  0  0  0  0
   67.3600   31.0640   25.1640 H   0  0  0  0  0  0
   66.5550   30.0750   26.4290 H   0  0  0  0  0  0
   63.3110   35.8080   21.0030 H   0  0  0  0  0  0
   69.2150   37.7940   25.2810 H   0  0  0  0  0  0
   68.3180   38.4820   27.4960 H   0  0  0  0  0  0
   65.9200   38.1570   28.0340 H   0  0  0  0  0  0
   64.3860   37.1210   26.3700 H   0  0  0  0  0  0
   65.7710   38.5170   22.6130 H   0  0  0  0  0  0
   64.2180   38.6160   21.7150 H   0  0  0  0  0  0
   65.6260   37.7730   20.9840 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  9  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 21  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END
> <s_m_entry_id>
7

> <s_m_entry_name>
HSP90-94-maestro.7

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
7

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
8
                    3D
 Structure written by MMmdl.
 31 33  0  0  1  0            999 V2000
   -1.5000   11.9060   22.6370 C   0  0  0  0  0  0
   -2.7740   11.5680   23.1180 C   0  0  0  0  0  0
   -2.8600   10.7840   24.2450 C   0  0  0  0  0  0
   -1.7300   10.3590   24.9090 C   0  0  0  0  0  0
   -0.4810   10.6830   24.4090 C   0  0  0  0  0  0
   -0.3670   11.4460   23.2750 C   0  0  0  0  0  0
   -1.3510   12.5930   21.4660 O   0  0  0  0  0  0
   -4.0810   10.4760   24.7520 O   0  0  0  0  0  0
   -1.8030    9.4660   26.0520 C   0  0  0  0  0  0
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> <s_m_entry_id>
8

> <s_m_entry_name>
HSP90-94-maestro.8

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
8

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
9
                    3D
 Structure written by MMmdl.
 36 39  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
9

> <s_m_entry_name>
HSP90-94-maestro.9

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
9

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
10
                    3D
 Structure written by MMmdl.
 38 40  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
10

> <s_m_entry_name>
HSP90-94-maestro.10

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
10

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
11
                    3D
 Structure written by MMmdl.
 48 51  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
11

> <s_m_entry_name>
HSP90-94-maestro.11

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
11

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
12
                    3D
 Structure written by MMmdl.
 51 54  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
12

> <s_m_entry_name>
HSP90-94-maestro.12

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
12

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
13
                    3D
 Structure written by MMmdl.
 50 52  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
13

> <s_m_entry_name>
HSP90-94-maestro.13

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
13

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
14
                    3D
 Structure written by MMmdl.
 46 49  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
14

> <s_m_entry_name>
HSP90-94-maestro.14

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
14

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
15
                    3D
 Structure written by MMmdl.
 48 50  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
15

> <s_m_entry_name>
HSP90-94-maestro.15

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
15

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
15
                    3D
 Structure written by MMmdl.
 48 50  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
16

> <s_m_entry_name>
HSP90-94-maestro.16

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
16

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
17
                    3D
 Structure written by MMmdl.
 54 60  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
17

> <s_m_entry_name>
HSP90-94-maestro.17

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
17

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
18
                    3D
 Structure written by MMmdl.
 53 59  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
18

> <s_m_entry_name>
HSP90-94-maestro.18

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
18

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
19
                    3D
 Structure written by MMmdl.
 52 58  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
19

> <s_m_entry_name>
HSP90-94-maestro.19

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
19

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
20
                    3D
 Structure written by MMmdl.
 66 71  0  0  1  0            999 V2000
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 37 66  1  0  0  0
M  END
> <s_m_entry_id>
20

> <s_m_entry_name>
HSP90-94-maestro.20

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
20

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
21
                    3D
 Structure written by MMmdl.
 61 64  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
21

> <s_m_entry_name>
HSP90-94-maestro.21

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
21

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
22
                    3D
 Structure written by MMmdl.
 59 62  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
22

> <s_m_entry_name>
HSP90-94-maestro.22

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
22

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
23
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
23

> <s_m_entry_name>
HSP90-94-maestro.23

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
23

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
24
                    3D
 Structure written by MMmdl.
 50 52  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
24

> <s_m_entry_name>
HSP90-94-maestro.24

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
24

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
25
                    3D
 Structure written by MMmdl.
 54 57  0  0  1  0            999 V2000
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HSP90-94-maestro.25

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/hits/fast/mcm/kokhda/HSP90/DATABASE

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97-comp-revised

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97-comp-revised

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0

$$$$
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                    3D
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26

> <s_m_entry_name>
HSP90-94-maestro.26

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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97-comp-revised

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97-comp-revised

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$$$$
27
                    3D
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> <s_m_entry_name>
HSP90-94-maestro.27

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97-comp-revised

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97-comp-revised

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$$$$
18
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
28

> <s_m_entry_name>
HSP90-94-maestro.28

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
28

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
29
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
29

> <s_m_entry_name>
HSP90-94-maestro.29

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
29

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
30
                    3D
 Structure written by MMmdl.
 51 54  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
30

> <s_m_entry_name>
HSP90-94-maestro.30

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
30

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
31
                    3D
 Structure written by MMmdl.
 34 36  0  0  1  0            999 V2000
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  5 25  1  0  0  0
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  7 27  1  0  0  0
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  9 10  2  0  0  0
  9 13  1  0  0  0
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 15 21  1  0  0  0
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 18 31  1  0  0  0
 19 23  1  0  0  0
 21 32  1  0  0  0
 21 33  1  0  0  0
 21 34  1  0  0  0
M  END
> <s_m_entry_id>
31

> <s_m_entry_name>
HSP90-94-maestro.31

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
31

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
32
                    3D
 Structure written by MMmdl.
 31 33  0  0  1  0            999 V2000
   -1.5000   11.9060   22.6370 C   0  0  0  0  0  0
   -2.7740   11.5680   23.1180 C   0  0  0  0  0  0
   -2.8600   10.7840   24.2450 C   0  0  0  0  0  0
   -1.7300   10.3590   24.9090 C   0  0  0  0  0  0
   -0.4810   10.6830   24.4090 C   0  0  0  0  0  0
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   -1.8030    9.4660   26.0520 C   0  0  0  0  0  0
   -2.5730    9.6400   27.0900 N   0  0  0  0  0  0
   -2.3820    8.5140   27.9230 N   0  0  0  0  0  0
   -1.5540    7.6440   27.3330 C   0  0  0  0  0  0
   -1.1720    8.2060   26.1500 N   0  0  0  0  0  0
   -0.3010    7.5830   25.1930 C   0  0  0  0  0  0
    1.0120    7.4110   25.5610 C   0  0  0  0  0  0
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   -1.6560   13.4960   21.5830 H   0  0  0  0  0  0
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    2.9930    6.7930   24.9520 H   0  0  0  0  0  0
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   -2.8080    8.3850   28.8300 H   0  0  0  0  0  0
  1  2  1  0  0  0
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  2  3  2  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
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  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 20  2  0  0  0
 13 14  1  0  0  0
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 14 19  2  0  0  0
 15 16  2  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 19 22  1  0  0  0
M  END
> <s_m_entry_id>
32

> <s_m_entry_name>
HSP90-94-maestro.32

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
32

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
33
                    3D
 Structure written by MMmdl.
 37 39  0  0  1  0            999 V2000
   -1.5000   11.9060   22.6370 C   0  0  0  0  0  0
   -2.7740   11.5680   23.1180 C   0  0  0  0  0  0
   -2.8600   10.7840   24.2450 C   0  0  0  0  0  0
   -1.7300   10.3590   24.9090 C   0  0  0  0  0  0
   -0.4810   10.6830   24.4090 C   0  0  0  0  0  0
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   -1.3510   12.5930   21.4660 O   0  0  0  0  0  0
   -4.0810   10.4760   24.7520 O   0  0  0  0  0  0
   -1.8030    9.4660   26.0520 C   0  0  0  0  0  0
   -2.5730    9.6400   27.0900 N   0  0  0  0  0  0
   -2.3820    8.5140   27.9230 N   0  0  0  0  0  0
   -1.5540    7.6440   27.3330 C   0  0  0  0  0  0
   -1.1720    8.2060   26.1500 N   0  0  0  0  0  0
   -0.3010    7.5830   25.1930 C   0  0  0  0  0  0
    1.0120    7.4110   25.5610 C   0  0  0  0  0  0
    1.4270    7.7760   26.8780 C   0  0  0  0  0  0
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    0.1830    6.6420   23.0440 C   0  0  0  0  0  0
   -0.7290    7.1910   23.9290 C   0  0  0  0  0  0
   -1.1930    6.5680   27.7740 O   0  0  0  0  0  0
   -3.6650   11.9150   22.6160 H   0  0  0  0  0  0
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   -0.4430   12.7030   21.1730 H   0  0  0  0  0  0
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   -2.8080    8.3850   28.8300 H   0  0  0  0  0  0
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  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
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  8 27  1  0  0  0
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  9 13  1  0  0  0
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 11 28  1  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
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 15 16  1  0  0  0
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 17 31  1  0  0  0
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 17 33  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
M  END
> <s_m_entry_id>
33

> <s_m_entry_name>
HSP90-94-maestro.33

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
33

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
34
                    3D
 Structure written by MMmdl.
 47 49  0  0  1  0            999 V2000
    0.0190   38.0490  -24.6770 C   0  0  0  0  0  0
   -0.3850   33.1320  -23.2090 C   0  0  0  0  0  0
   -1.6320   33.4810  -23.6940 C   0  0  0  0  0  0
   -1.7980   34.2880  -24.8070 C   0  0  0  0  0  0
   -0.6700   34.7880  -25.4600 C   0  0  0  0  0  0
    0.5560   34.4240  -24.9620 C   0  0  0  0  0  0
    0.7350   33.6440  -23.8480 C   0  0  0  0  0  0
   -0.7310   35.6730  -26.6570 C   0  0  0  0  0  0
   -1.3610   35.4690  -27.7540 N   0  0  0  0  0  0
   -0.1240   36.9000  -26.7550 N   0  0  0  0  0  0
   -3.0210   34.5750  -25.2390 O   0  0  0  0  0  0
   -0.2800   32.3560  -22.1320 O   0  0  0  0  0  0
   -1.1540   36.5630  -28.5810 N   0  0  0  0  0  0
   -0.3920   37.4380  -27.9310 C   0  0  0  0  0  0
    0.0010   38.5090  -28.2910 O   0  0  0  0  0  0
    0.6450   37.4930  -25.7670 C   0  0  0  0  0  0
    2.0140   37.5260  -25.8610 C   0  0  0  0  0  0
    2.7370   38.1170  -24.8590 C   0  0  0  0  0  0
    2.0880   38.6570  -23.7710 C   0  0  0  0  0  0
    2.1420   33.3550  -23.5310 C   0  0  0  0  0  0
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    2.8590   34.1920  -23.1090 O   0  0  0  0  0  0
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   -1.0590   38.0200  -24.6130 H   0  0  0  0  0  0
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  1 30  1  0  0  0
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  3 31  1  0  0  0
  4  5  1  0  0  0
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  8  9  2  0  0  0
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 18 19  2  0  0  0
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 19 25  1  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 22  2  0  0  0
 21 23  1  0  0  0
 21 26  1  0  0  0
 23 24  1  0  0  0
 23 36  1  0  0  0
 23 37  1  0  0  0
 24 28  1  0  0  0
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 24 39  1  0  0  0
 25 40  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 28 41  1  0  0  0
 28 42  1  0  0  0
M  END
> <s_m_entry_id>
34

> <s_m_entry_name>
HSP90-94-maestro.34

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
34

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
35
                    3D
 Structure written by MMmdl.
 52 56  0  0  1  0            999 V2000
   65.9100   34.3230   23.8870 C   0  0  0  0  0  0
   64.7270   33.9720   24.6180 C   0  0  0  0  0  0
   64.8110   33.3560   25.8620 C   0  0  0  0  0  0
   67.2040   34.0430   24.4510 C   0  0  0  0  0  0
   63.5070   34.2560   24.0930 O   0  0  0  0  0  0
   65.7300   35.0160   22.5500 C   0  0  0  0  0  0
   65.0310   34.4730   21.6980 O   0  0  0  0  0  0
   67.2900   33.4270   25.7320 C   0  0  0  0  0  0
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   66.4690   32.5090   27.6240 N   0  0  0  0  0  0
   67.8590   32.5030   27.6960 N   0  0  0  0  0  0
   68.3960   33.0320   26.6150 C   0  0  0  0  0  0
   69.8920   33.2170   26.3900 C   0  0  0  0  0  0
   70.5700   32.5790   25.2050 C   0  0  0  0  0  0
   70.8890   33.3580   24.0730 C   0  0  0  0  0  0
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M  END
> <i_m_stars>
3

> <s_m_entry_id>
35

> <s_m_entry_name>
HSP90-94-maestro.35

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
35

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
36
                    3D
 Structure written by MMmdl.
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M  CHG  1  27   1
M  END
> <s_m_entry_id>
36

> <s_m_entry_name>
HSP90-94-maestro.36

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
36

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
35
                    3D
 Structure written by MMmdl.
 65 68  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
37

> <s_m_entry_name>
HSP90-94-maestro.37

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
37

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
38
                    3D
 Structure written by MMmdl.
 49 52  0  0  1  0            999 V2000
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  1  2  2  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3 10  2  0  0  0
  3 30  1  0  0  0
  4  9  2  0  0  0
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  5 32  1  0  0  0
  6  7  1  0  0  0
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M  END
> <s_m_entry_id>
38

> <s_m_entry_name>
HSP90-94-maestro.38

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
38

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
39
                    3D
 Structure written by MMmdl.
 52 55  0  0  1  0            999 V2000
   -0.8650   11.1330   25.7650 C   0  0  3  0  0  0
   -2.0540   11.5770   25.0960 C   0  0  0  0  0  0
   -1.9690   12.2430   23.8570 C   0  0  0  0  0  0
    0.4050   11.3630   25.1730 C   0  0  0  0  0  0
   -3.2670   11.3580   25.6590 O   0  0  0  0  0  0
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   -0.7620    9.0440   27.2070 N   0  0  0  0  0  0
   -1.2160   11.0950   28.0740 O   0  0  0  0  0  0
    0.4990   12.0230   23.9310 C   0  0  0  0  0  0
   -0.6990   12.4700   23.2650 C   0  0  0  0  0  0
   -0.2960   13.0580   22.1080 N   0  3  0  0  0  0
    1.1000   12.9880   22.0210 N   0  0  0  0  0  0
    1.6090   12.3920   23.0580 C   0  0  0  0  0  0
    3.0940   12.1220   23.2680 C   0  0  0  0  0  0
    3.7850   12.7960   24.4430 C   0  0  0  0  0  0
    4.1270   12.0370   25.5840 C   0  0  0  0  0  0
    5.1270   14.0160   26.6160 C   0  0  0  0  0  0
    4.7830   14.7710   25.4770 C   0  0  0  0  0  0
    4.7980   12.6510   26.6700 C   0  0  0  0  0  0
    4.1150   14.1630   24.3890 C   0  0  0  0  0  0
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    1.0220    8.0650   25.6730 C   0  0  0  0  0  0
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   -0.6930    7.3460   28.4690 H   0  0  0  0  0  0
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   -0.7800    7.1170   26.2900 H   0  0  0  0  0  0
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    4.6430   16.7530   26.2420 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  2  3  2  0  0  0
  2  5  1  0  0  0
  3 10  1  0  0  0
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  4  9  2  0  0  0
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 29 50  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
M  CHG  1  11   1
M  END
> <s_m_entry_id>
39

> <s_m_entry_name>
HSP90-94-maestro.39

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
39

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
40
                    3D
 Structure written by MMmdl.
 52 55  0  0  1  0            999 V2000
   66.4930   34.1790   23.7900 C   0  0  0  0  0  0
   65.3050   33.6970   24.4420 C   0  0  0  0  0  0
   65.4120   33.0010   25.6640 C   0  0  0  0  0  0
   67.7560   33.9560   24.3720 C   0  0  0  0  0  0
   64.0830   33.9110   23.8830 O   0  0  0  0  0  0
   66.4230   34.9210   22.5070 C   0  0  0  0  0  0
   66.6370   36.3110   22.4280 N   0  0  0  0  0  0
   66.1740   34.2810   21.4940 O   0  0  0  0  0  0
   67.8720   33.2760   25.5830 C   0  0  0  0  0  0
   66.6990   32.7880   26.2430 C   0  0  0  0  0  0
   67.1360   32.1840   27.3780 N   0  0  0  0  0  0
   68.5270   32.2870   27.4490 N   0  0  0  0  0  0
   69.0000   32.9170   26.4250 C   0  0  0  0  0  0
   70.4640   33.2370   26.1870 C   0  0  0  0  0  0
   71.1650   32.5020   25.0700 C   0  0  0  0  0  0
   71.5440   33.2120   23.9030 C   0  0  0  0  0  0
   72.5300   31.1770   22.9800 C   0  0  0  0  0  0
   72.1500   30.4710   24.1480 C   0  0  0  0  0  0
   72.2260   32.5460   22.8570 C   0  0  0  0  0  0
   71.4710   31.1280   25.1920 C   0  0  0  0  0  0
   66.5520   36.9720   21.1160 C   0  0  0  0  0  0
   66.9370   37.1850   23.6130 C   0  0  0  0  0  0
   68.4130   37.2060   24.0450 C   0  0  0  0  0  0
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   71.1020   37.2290   24.9460 C   0  0  0  0  0  0
   70.8190   37.2060   23.5570 C   0  0  0  0  0  0
   70.0450   37.2420   25.8770 C   0  0  0  0  0  0
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   72.7420   37.2380   25.5090 Cl  0  0  0  0  0  0
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   64.5230   32.6330   26.1550 H   0  0  0  0  0  0
   68.6480   34.3130   23.8790 H   0  0  0  0  0  0
   63.1760   33.5410   24.3840 H   0  0  0  0  0  0
   66.4150   31.7170   28.0650 H   0  0  0  0  0  0
   70.5710   34.3050   25.9450 H   0  0  0  0  0  0
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   71.3120   34.2630   23.8110 H   0  0  0  0  0  0
   73.0520   30.6650   22.1850 H   0  0  0  0  0  0
   72.5120   33.0880   21.9680 H   0  0  0  0  0  0
   71.1840   30.5880   26.0820 H   0  0  0  0  0  0
   66.7440   38.0490   21.2350 H   0  0  0  0  0  0
   65.5470   36.8230   20.6950 H   0  0  0  0  0  0
   67.3020   36.5380   20.4380 H   0  0  0  0  0  0
   66.6610   38.2240   23.3810 H   0  0  0  0  0  0
   66.3590   36.8370   24.4810 H   0  0  0  0  0  0
   67.9090   37.2420   26.1550 H   0  0  0  0  0  0
   71.6280   37.1980   22.8410 H   0  0  0  0  0  0
   70.2610   37.2600   26.9350 H   0  0  0  0  0  0
   69.2610   37.1730   22.0450 H   0  0  0  0  0  0
   72.1070   28.6440   25.2430 H   0  0  0  0  0  0
   73.5670   28.8830   24.2240 H   0  0  0  0  0  0
   71.9980   28.4610   23.4590 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3 10  2  0  0  0
  3 31  1  0  0  0
  4  9  2  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
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 25 29  1  0  0  0
 26 28  1  0  0  0
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 27 48  1  0  0  0
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 30 50  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
M  END
> <s_m_entry_id>
40

> <s_m_entry_name>
HSP90-94-maestro.40

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
40

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
41
                    3D
 Structure written by MMmdl.
 46 50  0  0  1  0            999 V2000
   65.1390   33.0410   25.5700 C   0  0  0  0  0  0
   65.1170   33.8390   24.4110 C   0  0  0  0  0  0
   66.3550   34.2820   23.8150 C   0  0  0  0  0  0
   67.5940   33.8980   24.3920 C   0  0  0  0  0  0
   66.3680   35.1410   22.5920 C   0  0  0  0  0  0
   65.7560   34.8750   21.4020 C   0  0  0  0  0  0
   66.0130   35.9400   20.5380 C   0  0  0  0  0  0
   66.7450   36.8310   21.1590 N   0  0  0  0  0  0
   66.9890   36.3820   22.4600 N   0  0  0  0  0  0
   67.7590   37.0680   23.4350 C   0  0  0  0  0  0
   69.1480   37.2530   23.2180 C   0  0  0  0  0  0
   69.9290   37.9260   24.1820 C   0  0  0  0  0  0
   69.3320   38.4150   25.3630 C   0  0  0  0  0  0
   67.9460   38.2370   25.5880 C   0  0  0  0  0  0
   67.1560   37.5680   24.6310 C   0  0  0  0  0  0
   63.9220   34.2000   23.8640 O   0  0  0  0  0  0
   66.3900   32.6710   26.1530 C   0  0  0  0  0  0
   67.6180   33.1000   25.5550 C   0  0  0  0  0  0
   68.6900   32.5620   26.3780 C   0  0  0  0  0  0
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   66.7400   31.9300   27.2470 N   0  0  0  0  0  0
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  1  2  1  0  0  0
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M  END
> <s_m_entry_id>
41

> <s_m_entry_name>
HSP90-94-maestro.41

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
41

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
42
                    3D
 Structure written by MMmdl.
 52 55  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
42

> <s_m_entry_name>
HSP90-94-maestro.42

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
42

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
43
                    3D
 Structure written by MMmdl.
 62 66  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
   66.4930   34.1790   23.7900 C   0  0  0  0  0  0
   67.8560   39.3150   27.0080 N   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
43

> <s_m_entry_name>
HSP90-94-maestro.43

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
43

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
44
                    3D
 Structure written by MMmdl.
 49 52  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
44

> <s_m_entry_name>
HSP90-94-maestro.44

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
44

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
45
                    3D
 Structure written by MMmdl.
 64 68  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
45

> <s_m_entry_name>
HSP90-94-maestro.45

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
45

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
46
                    3D
 Structure written by MMmdl.
 57 60  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
46

> <s_m_entry_name>
HSP90-94-maestro.46

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
46

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
47
                    3D
 Structure written by MMmdl.
 64 68  0  0  1  0            999 V2000
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M  CHG  1   7   1
M  END
> <s_m_entry_id>
47

> <s_m_entry_name>
HSP90-94-maestro.47

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
47

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
48
                    3D
 Structure written by MMmdl.
 66 70  0  0  1  0            999 V2000
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M  CHG  1   6   1
M  END
> <s_m_entry_id>
48

> <s_m_entry_name>
HSP90-94-maestro.48

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
48

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
49
                    3D
 Structure written by MMmdl.
 64 68  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
49

> <s_m_entry_name>
HSP90-94-maestro.49

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
49

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
50
                    3D
 Structure written by MMmdl.
 67 71  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
50

> <s_m_entry_name>
HSP90-94-maestro.50

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
50

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
51
                    3D
 Structure written by MMmdl.
 60 64  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
51

> <s_m_entry_name>
HSP90-94-maestro.51

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
51

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
52
                    3D
 Structure written by MMmdl.
 61 65  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
52

> <s_m_entry_name>
HSP90-94-maestro.52

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
52

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
53
                    3D
 Structure written by MMmdl.
 49 52  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
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   68.5270   32.2870   27.4490 N   0  0  0  0  0  0
   69.0000   32.9170   26.4250 C   0  0  0  0  0  0
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   71.5440   33.2120   23.9030 C   0  0  0  0  0  0
   72.5300   31.1770   22.9800 C   0  0  0  0  0  0
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   66.1520   37.9780   21.2420 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1 11  2  0  0  0
  1 13  1  0  0  0
  2  4  2  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  5  2  0  0  0
  3 42  1  0  0  0
  4  6  1  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5 43  1  0  0  0
  6 16  2  0  0  0
  6 31  1  0  0  0
  7  9  2  0  0  0
  7 29  1  0  0  0
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  9 11  1  0  0  0
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M  END
> <s_m_entry_id>
53

> <s_m_entry_name>
HSP90-94-maestro.53

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
53

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
54
                    3D
 Structure written by MMmdl.
 53 56  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
   66.4930   34.1790   23.7900 C   0  0  0  0  0  0
   69.8400   37.8090   25.6580 O   0  0  0  0  0  0
   65.8820   37.7020   24.1440 C   0  0  0  0  0  0
   65.3050   33.6970   24.4420 C   0  0  0  0  0  0
   66.1720   38.4460   25.2990 C   0  0  0  0  0  0
   65.4120   33.0010   25.6640 C   0  0  0  0  0  0
   67.4830   38.4810   25.8010 C   0  0  0  0  0  0
   67.7560   33.9560   24.3720 C   0  0  0  0  0  0
   68.5050   37.7730   25.1470 C   0  0  0  0  0  0
   64.0830   33.9110   23.8830 O   0  0  0  0  0  0
   68.2150   37.0300   23.9910 C   0  0  0  0  0  0
   66.4230   34.9210   22.5070 C   0  0  0  0  0  0
   70.3580   36.4780   25.7350 C   0  0  0  0  0  0
   66.6370   36.3110   22.4280 N   0  0  0  0  0  0
   66.1740   34.2810   21.4940 O   0  0  0  0  0  0
   67.8720   33.2760   25.5830 C   0  0  0  0  0  0
   66.6990   32.7880   26.2430 C   0  0  0  0  0  0
   67.1360   32.1840   27.3780 N   0  0  0  0  0  0
   68.5270   32.2870   27.4490 N   0  0  0  0  0  0
   69.0000   32.9170   26.4250 C   0  0  0  0  0  0
   70.4640   33.2370   26.1870 C   0  0  0  0  0  0
   71.1650   32.5020   25.0700 C   0  0  0  0  0  0
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   72.1500   30.4710   24.1480 C   0  0  0  0  0  0
   72.2260   32.5460   22.8570 C   0  0  0  0  0  0
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   72.4770   29.0190   24.2770 C   0  0  0  0  0  0
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   72.5150   33.0910   21.9590 H   0  0  0  0  0  0
   71.1830   30.5800   26.0890 H   0  0  0  0  0  0
   65.8940   36.4000   20.4620 H   0  0  0  0  0  0
   69.0170   36.4730   23.4770 H   0  0  0  0  0  0
   64.8520   37.6740   23.7500 H   0  0  0  0  0  0
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   66.1520   37.9780   21.2420 H   0  0  0  0  0  0
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  1  4  1  0  0  0
  1 12  2  0  0  0
  1 15  1  0  0  0
  2  5  2  0  0  0
  2  9  1  0  0  0
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 30 47  1  0  0  0
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M  END
> <s_m_entry_id>
54

> <s_m_entry_name>
HSP90-94-maestro.54

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
54

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
55
                    3D
 Structure written by MMmdl.
 52 55  0  0  1  0            999 V2000
   66.9030   36.9940   23.4890 C   0  0  0  0  0  0
   66.4930   34.1790   23.7900 C   0  0  0  0  0  0
   65.8820   37.7020   24.1440 C   0  0  0  0  0  0
   65.3050   33.6970   24.4420 C   0  0  0  0  0  0
   66.1720   38.4460   25.2990 C   0  0  0  0  0  0
   65.4120   33.0010   25.6640 C   0  0  0  0  0  0
   67.4830   38.4810   25.8010 C   0  0  0  0  0  0
   67.7560   33.9560   24.3720 C   0  0  0  0  0  0
   68.5050   37.7730   25.1470 C   0  0  0  0  0  0
   64.0830   33.9110   23.8830 O   0  0  0  0  0  0
   68.2150   37.0300   23.9910 C   0  0  0  0  0  0
   66.4230   34.9210   22.5070 C   0  0  0  0  0  0
   69.9430   37.8110   25.6980 C   0  0  0  0  0  0
   66.6370   36.3110   22.4280 N   0  0  0  0  0  0
   66.1740   34.2810   21.4940 O   0  0  0  0  0  0
   67.8720   33.2760   25.5830 C   0  0  0  0  0  0
   66.6990   32.7880   26.2430 C   0  0  0  0  0  0
   67.1360   32.1840   27.3780 N   0  0  0  0  0  0
   68.5270   32.2870   27.4490 N   0  0  0  0  0  0
   69.0000   32.9170   26.4250 C   0  0  0  0  0  0
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 29 46  1  0  0  0
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M  END
> <s_m_entry_id>
55

> <s_m_entry_name>
HSP90-94-maestro.55

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
55

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
56
                    3D
 Structure written by MMmdl.
 61 65  0  0  1  0            999 V2000
    0.3430   10.0470   21.6980 C   0  0  0  0  0  0
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    2.5630   10.6420   23.3940 O   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
56

> <s_m_entry_name>
HSP90-94-maestro.56

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
56

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
57
                    3D
 Structure written by MMmdl.
 63 67  0  0  1  0            999 V2000
    0.3430   10.0470   21.6980 C   0  0  0  0  0  0
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   -5.9350   12.6200   25.4220 C   0  0  0  0  0  0
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   -4.2690   14.4620   25.3760 C   0  0  0  0  0  0
    1.1800   11.5540   25.0720 C   0  0  0  0  0  0
    1.3150   10.9220   23.8430 C   0  0  0  0  0  0
    2.5630   10.6420   23.3940 O   0  0  0  0  0  0
   -0.1070   12.0130   25.4320 C   0  0  0  0  0  0
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 34 38  1  0  0  0
 34 58  1  0  0  0
M  END
> <s_m_entry_id>
57

> <s_m_entry_name>
HSP90-94-maestro.57

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
57

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
58
                    3D
 Structure written by MMmdl.
 37 40  0  0  1  0            999 V2000
   -1.2110   34.0660   25.3920 C   0  0  0  0  0  0
   -8.6640   29.5000   23.5850 O   0  3  0  0  0  0
   -2.6840   33.5900   23.3800 C   0  0  0  0  0  0
   -3.6180   32.6030   23.4260 N   0  0  0  0  0  0
   -2.8710   34.6150   22.7340 O   0  0  0  0  0  0
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M  CHG  1   2   1
M  END
> <s_m_entry_id>
58

> <s_m_entry_name>
HSP90-94-maestro.58

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
58

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
59
                    3D
 Structure written by MMmdl.
 37 40  0  0  1  0            999 V2000
   -1.2110   34.0660   25.3920 C   0  0  0  0  0  0
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   -2.6840   33.5900   23.3800 C   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
59

> <s_m_entry_name>
HSP90-94-maestro.59

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

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59

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97-comp-revised

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97-comp-revised

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0

$$$$
60
                    3D
 Structure written by MMmdl.
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M  CHG  1  35   1
M  END
> <s_m_entry_id>
60

> <s_m_entry_name>
HSP90-94-maestro.60

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
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> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
64
                    3D
 Structure written by MMmdl.
 36 39  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
61

> <s_m_entry_name>
HSP90-94-maestro.61

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
61

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
61
                    3D
 Structure written by MMmdl.
 39 42  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
62

> <s_m_entry_name>
HSP90-94-maestro.62

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
62

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
62
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
63

> <s_m_entry_name>
HSP90-94-maestro.63

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
63

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
63
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
64

> <s_m_entry_name>
HSP90-94-maestro.64

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
64

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
65
                    3D
 Structure written by MMmdl.
 50 54  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
65

> <s_m_entry_name>
HSP90-94-maestro.65

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
65

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
66
                    3D
 Structure written by MMmdl.
 53 55  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
66

> <s_m_entry_name>
HSP90-94-maestro.66

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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66

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
67
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
67

> <s_m_entry_name>
HSP90-94-maestro.67

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
67

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
68
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
68

> <s_m_entry_name>
HSP90-94-maestro.68

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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68

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
69
                    3D
 Structure written by MMmdl.
 55 58  0  0  1  0            999 V2000
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M  CHG  2  17   1  22   1
M  END
> <s_m_entry_id>
69

> <s_m_entry_name>
HSP90-94-maestro.69

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
69

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
70
                    3D
 Structure written by MMmdl.
 55 58  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
70

> <s_m_entry_name>
HSP90-94-maestro.70

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
70

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
71
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
71

> <s_m_entry_name>
HSP90-94-maestro.71

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
71

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
72
                    3D
 Structure written by MMmdl.
 53 56  0  0  1  0            999 V2000
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> <s_m_entry_id>
72

> <s_m_entry_name>
HSP90-94-maestro.72

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
72

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
73
                    3D
 Structure written by MMmdl.
 54 57  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
73

> <s_m_entry_name>
HSP90-94-maestro.73

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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73

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
74
                    3D
 Structure written by MMmdl.
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M  END
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74

> <s_m_entry_name>
HSP90-94-maestro.74

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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74

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97-comp-revised

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97-comp-revised

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0

$$$$
75
                    3D
 Structure written by MMmdl.
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75

> <s_m_entry_name>
HSP90-94-maestro.75

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

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0

$$$$
76
                    3D
 Structure written by MMmdl.
 63 67  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
76

> <s_m_entry_name>
HSP90-94-maestro.76

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
76

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

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$$$$
77
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
77

> <s_m_entry_name>
HSP90-94-maestro.77

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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97-comp-revised

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97-comp-revised

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0

$$$$
78
                    3D
 Structure written by MMmdl.
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78

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HSP90-94-maestro.78

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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78

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
79
                    3D
 Structure written by MMmdl.
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79

> <s_m_entry_name>
HSP90-94-maestro.79

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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79

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
80
                    3D
 Structure written by MMmdl.
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80

> <s_m_entry_name>
HSP90-94-maestro.80

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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80

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
81
                    3D
 Structure written by MMmdl.
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M  END
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81

> <s_m_entry_name>
HSP90-94-maestro.81

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/hits/fast/mcm/kokhda/HSP90/DATABASE

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81

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97-comp-revised

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97-comp-revised

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0

$$$$
82
                    3D
 Structure written by MMmdl.
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M  CHG  1   3   1
M  END
> <s_m_entry_id>
82

> <s_m_entry_name>
HSP90-94-maestro.82

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
82

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
83
                    3D
 Structure written by MMmdl.
 53 56  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
83

> <s_m_entry_name>
HSP90-94-maestro.83

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
83

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
84
                    3D
 Structure written by MMmdl.
 49 52  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
84

> <s_m_entry_name>
HSP90-94-maestro.84

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
84

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
85
                    3D
 Structure written by MMmdl.
 60 63  0  0  1  0            999 V2000
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M  CHG  1  22  -2
M  END
> <s_m_entry_id>
85

> <s_m_entry_name>
HSP90-94-maestro.85

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
85

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
86
                    3D
 Structure written by MMmdl.
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M  END
> <s_m_entry_id>
86

> <s_m_entry_name>
HSP90-94-maestro.86

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
86

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
87
                    3D
 Structure written by MMmdl.
 49 52  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
87

> <s_m_entry_name>
HSP90-94-maestro.87

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
87

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
88
                    3D
 Structure written by MMmdl.
 54 57  0  0  1  0            999 V2000
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88

> <s_m_entry_name>
HSP90-94-maestro.88

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
88

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
89
                    3D
 Structure written by MMmdl.
 60 63  0  0  1  0            999 V2000
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M  END
> <s_m_entry_id>
89

> <s_m_entry_name>
HSP90-94-maestro.89

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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89

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97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
90
                    3D
 Structure written by MMmdl.
 55 59  0  0  1  0            999 V2000
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> <s_m_entry_id>
90

> <s_m_entry_name>
HSP90-94-maestro.90

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

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90

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
91
                    3D
 Structure written by MMmdl.
 60 64  0  0  1  0            999 V2000
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91

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HSP90-94-maestro.91

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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91

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

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0

$$$$
92
                    3D
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92

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HSP90-94-maestro.92

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/hits/fast/mcm/kokhda/HSP90/DATABASE

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HSP90-94-maestro.sdf

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92

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97-comp-revised

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97-comp-revised

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0

$$$$
93
                    3D
 Structure written by MMmdl.
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93

> <s_m_entry_name>
HSP90-94-maestro.93

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/hits/fast/mcm/kokhda/HSP90/DATABASE

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97-comp-revised

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97-comp-revised

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$$$$
94
                    3D
 Structure written by MMmdl.
 58 61  0  0  1  0            999 V2000
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M  END
> <i_m_stars>
2

> <s_m_entry_id>
94

> <s_m_entry_name>
HSP90-94-maestro.94

> <s_m_Source_Path>
/hits/fast/mcm/kokhda/HSP90/DATABASE

> <s_m_Source_File>
HSP90-94-maestro.sdf

> <i_m_Source_File_Index>
94

> <s_m_subgroup_title>
97-comp-revised

> <s_m_subgroupid>
97-comp-revised

> <b_m_subgroup_collapsed>
0

$$$$
