@<TRIPOS>MOLECULE
BindingDB_14694
 76 79 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.2068   14.2163   22.4102  C     
2    C        20.9131   13.1360   21.8240  C     
3    C        20.2580   11.9363   21.4841  C     
4    C        18.8804   11.7962   21.7249  C     
5    C        18.1594   12.8543   22.3026  C     
6    C        18.8160   14.0534   22.6383  C     
7    C        20.8756   15.4320   22.7606  C     
8    C        22.2076   17.8651   23.4603  C     
9    C        21.0098   17.8863   22.7154  C     
10   C        20.3582   16.6885   22.3687  C     
11   C        22.0770   15.4191   23.5116  C     
12   C        22.7357   16.6143   23.8515  C     
13   C        22.8687   19.1428   23.8472  C     
14   C        20.3297   19.1969   26.3321  C     
15   C        21.7609   19.7002   26.0046  C     
16   C        21.2814   21.0153   23.9955  C     
17   C        19.0700   21.1694   25.1712  C     
18   C        19.2785   20.3281   26.4532  C     
19   N        21.9506   20.0041   24.5882  N     
20   O        21.4179   21.1907   22.7862  O     
21   C        20.3363   21.9217   24.6789  C     
22   N        19.8977   23.0312   23.8570  N     
23   C        20.6438   24.0684   23.4892  C     
24   O        21.8199   24.1404   23.8290  O     
25   C        20.0587   25.0981   22.6413  C     
26   N        20.5553   26.4095   22.9883  N     
27   C        19.8453   27.5206   23.1292  C     
28   C        20.5442   28.7649   23.3427  C     
29   O        18.6323   27.5345   22.9539  O     
30   C        20.3585   24.8108   21.1366  C     
31   C        19.5652   25.7248   20.2469  C     
32   C        17.3974   26.5611   19.4649  C     
33   C        18.1604   25.6145   20.1915  C     
34   C        20.2026   26.7623   19.5357  C     
35   C        19.4409   27.7142   18.8230  C     
36   C        18.0173   27.6507   18.8035  C     
37   C        17.2454   28.6748   18.0147  C     
38   C        15.7789   28.7021   18.1352  C     
39   O        15.2047   28.9520   19.3319  O     
40   O        14.9727   28.6488   17.0491  O     
41   C        20.1474   28.7489   18.1769  C     
42   O        20.2987   29.9238   18.8456  O     
43   O        21.1145   28.4395   17.2661  O     
44   H        21.9146   13.2150   21.6257  H     
45   H        20.7838   11.1700   21.0618  H     
46   H        18.4042   10.9238   21.4833  H     
47   H        17.1585   12.7524   22.4820  H     
48   H        18.2675   14.8015   23.0725  H     
49   H        20.6039   18.7733   22.4098  H     
50   H        19.5050   16.7484   21.8097  H     
51   H        22.4763   14.5345   23.8365  H     
52   H        23.5956   16.5663   24.4028  H     
53   H        23.7635   18.9468   24.4531  H     
54   H        23.2645   19.6186   22.9464  H     
55   H        20.0092   18.4808   25.5630  H     
56   H        20.3574   18.6590   27.2826  H     
57   H        22.0005   20.5796   26.6097  H     
58   H        22.4497   18.9219   26.3435  H     
59   H        18.6866   20.5263   24.3735  H     
60   H        18.2821   21.8910   25.4073  H     
61   H        18.3215   19.8730   26.7321  H     
62   H        19.5680   20.9908   27.2806  H     
63   H        20.8321   22.3589   25.5472  H     
64   H        18.9741   23.0281   23.5625  H     
65   H        18.9687   25.0561   22.7827  H     
66   H        21.5178   26.4987   23.0585  H     
67   H        21.0494   28.7487   24.3078  H     
68   H        19.8596   29.6153   23.3252  H     
69   H        21.2842   28.9088   22.5579  H     
70   H        21.4335   24.9467   20.9541  H     
71   H        20.1261   23.7793   20.8836  H     
72   H        16.3774   26.4503   19.4235  H     
73   H        17.7021   24.8660   20.6998  H     
74   H        21.2120   26.8527   19.5941  H     
75   H        17.5777   29.6671   18.2982  H     
76   H        17.4999   28.5279   16.9633  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   41 1
    41   36   37 1
    42   37   38 1
    43   38   39 2
    44   38   40 1
    45   41   42 2
    46   41   43 1
    47    2   44 1
    48    3   45 1
    49    4   46 1
    50    5   47 1
    51    6   48 1
    52    9   49 1
    53   10   50 1
    54   11   51 1
    55   12   52 1
    56   13   53 1
    57   13   54 1
    58   14   55 1
    59   14   56 1
    60   15   57 1
    61   15   58 1
    62   17   59 1
    63   17   60 1
    64   18   61 1
    65   18   62 1
    66   21   63 1
    67   22   64 1
    68   25   65 1
    69   26   66 1
    70   28   67 1
    71   28   68 1
    72   28   69 1
    73   30   70 1
    74   30   71 1
    75   32   72 1
    76   33   73 1
    77   34   74 1
    78   37   75 1
    79   37   76 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 13.1226
  Crash		| -1.4125
  Polar		| 10.3875
  FragIndex	| 1
  FragRMSD	| 0.300