@<TRIPOS>MOLECULE
BindingDB_11434
 79 82 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.8738   64.4521    7.1474  C     
2    C         1.4512   63.3976    7.8799  C     
3    C         0.3946   63.5103    8.7929  C     
4    C         0.0612   65.7015    8.0508  C     
5    C        -0.5076   66.9630    7.8737  C     
6    C         0.3461   67.5764    6.9676  C     
7    N         2.8967   64.3963    6.2729  N     
8    C         3.9122   63.5080    6.0418  C     
9    C         4.3248   62.4193    6.8607  C     
10   C         4.6318   63.7462    4.8520  C     
11   C         5.6984   62.9160    4.4630  C     
12   C         6.0676   61.8099    5.2567  C     
13   C         5.3776   61.5817    6.4625  C     
14   S         7.3623   60.7305    4.7930  S     
15   O         7.9331   61.0478    3.3438  O     
16   O         8.6073   61.0223    5.7440  O     
17   N         6.9294   59.0889    4.8420  N     
18   C         7.2055   58.3082    6.0107  C     
19   C         5.8581   58.7056    3.9697  C     
20   N         1.1425   65.5949    7.2395  N     
21   N        -0.3015   64.6694    8.8628  N     
22   N         1.3186   66.7178    6.6036  N     
23   N         0.1488   62.4523    9.5918  N     
24   C        -0.8410   62.3232   10.6171  C     
25   C        -0.1028   62.2217   11.9900  C     
26   C        -1.6726   61.0456   10.3044  C     
27   C        -2.6199   60.6677   11.4749  C     
28   C        -1.8017   60.4678   12.7908  C     
29   C        -1.0438   61.7877   13.1434  C     
30   C        -1.7319   67.5157    8.4946  C     
31   C        -2.9835   66.6741    8.1212  C     
32   C        -1.5778   67.6568   10.0324  C     
33   N        -2.6435   59.8344   13.8775  N     
34   C        -1.8784   59.0750   14.9300  C     
35   C        -1.1455   57.7976   14.4485  C     
36   C        -3.7557   60.6815   14.4587  C     
37   C        -3.4883   61.4541   15.7824  C     
38   H         1.8719   62.5202    7.7415  H     
39   H         0.2479   68.5281    6.6227  H     
40   H         2.9522   65.1793    5.6931  H     
41   H         3.9013   62.2259    7.7728  H     
42   H         4.4021   64.5296    4.2341  H     
43   H         6.2192   63.1328    3.5917  H     
44   H         5.6515   60.8167    7.0674  H     
45   H         8.2050   58.5082    6.4018  H     
46   H         7.1608   57.2398    5.7802  H     
47   H         6.4703   58.5177    6.7924  H     
48   H         4.9039   59.0244    4.3971  H     
49   H         5.8351   57.6211    3.8292  H     
50   H         5.9675   59.1545    2.9790  H     
51   H         0.7513   61.6891    9.4998  H     
52   H        -1.5273   63.1816   10.6561  H     
53   H         0.7172   61.4948   11.9138  H     
54   H         0.3351   63.1932   12.2305  H     
55   H        -2.2583   61.2056    9.3986  H     
56   H        -0.9952   60.2043   10.1195  H     
57   H        -3.3660   61.4559   11.5927  H     
58   H        -3.1376   59.7450   11.2104  H     
59   H        -1.0302   59.7416   12.5202  H     
60   H        -0.4451   61.6395   14.0416  H     
61   H        -1.7522   62.5970   13.3230  H     
62   H        -1.8956   68.5180    8.0882  H     
63   H        -3.1136   66.6504    7.0337  H     
64   H        -3.8787   67.1168    8.5614  H     
65   H        -2.8934   65.6451    8.4845  H     
66   H        -1.4644   66.6792   10.5059  H     
67   H        -2.4544   68.1474   10.4591  H     
68   H        -0.6990   68.2618   10.2666  H     
69   H        -3.1217   59.0910   13.3748  H     
70   H        -1.1495   59.7282   15.4203  H     
71   H        -2.5743   58.7186   15.6966  H     
72   H        -1.8006   57.2035   13.8085  H     
73   H        -0.8670   57.1866   15.3133  H     
74   H        -0.2282   58.0398   13.9035  H     
75   H        -4.1126   61.4036   13.7201  H     
76   H        -4.6058   60.0161   14.6359  H     
77   H        -3.7617   60.8426   16.6466  H     
78   H        -4.0904   62.3683   15.8220  H     
79   H        -2.4401   61.7319   15.8804  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   30 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   33 1
    35   30   31 1
    36   30   32 1
    37   33   34 1
    38   33   36 1
    39   34   35 1
    40   36   37 1
    41    2   38 1
    42    6   39 1
    43    7   40 1
    44    9   41 1
    45   10   42 1
    46   11   43 1
    47   13   44 1
    48   18   45 1
    49   18   46 1
    50   18   47 1
    51   19   48 1
    52   19   49 1
    53   19   50 1
    54   23   51 1
    55   24   52 1
    56   25   53 1
    57   25   54 1
    58   26   55 1
    59   26   56 1
    60   27   57 1
    61   27   58 1
    62   28   59 1
    63   29   60 1
    64   29   61 1
    65   30   62 1
    66   31   63 1
    67   31   64 1
    68   31   65 1
    69   32   66 1
    70   32   67 1
    71   32   68 1
    72   33   69 1
    73   34   70 1
    74   34   71 1
    75   35   72 1
    76   35   73 1
    77   35   74 1
    78   36   75 1
    79   36   76 1
    80   37   77 1
    81   37   78 1
    82   37   79 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6433
  Crash		| -3.2726
  Polar		| 2.1340
  FragIndex	| 1
  FragRMSD	| 0.894