@<TRIPOS>MOLECULE
BindingDB_50178971
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.3448   38.3722   28.9935  C     
2    C        19.4805   37.3175   29.3505  C     
3    C        21.7351   38.2241   29.1763  C     
4    C        21.8726   32.1664   30.6617  C     
5    O        19.8357   39.5404   28.5023  O     
6    C        21.3938   35.9799   30.1182  C     
7    C        18.4293   42.7630   29.5525  C     
8    C        18.8661   41.6717   28.7766  C     
9    C        21.6805   33.4375   29.9260  C     
10   C        22.2524   37.0401   29.7379  C     
11   C        20.0012   36.1477   29.9326  C     
12   C        19.4550   40.5391   29.3779  C     
13   C        21.9130   34.7349   30.7637  C     
14   C        18.5818   42.7351   30.9524  C     
15   O        21.6343   30.9959   30.0262  O     
16   C        19.1642   41.6110   31.5676  C     
17   I        23.0228   39.7488   28.6825  I     
18   I        17.4517   37.4803   29.0754  I     
19   I        17.5672   44.3861   28.6306  I     
20   N        22.5564   33.4366   28.7418  N     
21   O        22.1196   32.1073   31.9895  O     
22   C        19.5975   40.5212   30.7901  C     
23   O        18.1808   43.7885   31.7054  O     
24   H        18.7488   41.7035   27.7627  H     
25   H        20.6499   33.4247   29.5651  H     
26   H        23.2591   36.9749   29.9019  H     
27   H        19.3549   35.4261   30.2547  H     
28   H        22.9833   34.8218   30.9578  H     
29   H        21.4222   34.6475   31.7363  H     
30   H        19.2607   41.5857   32.5852  H     
31   H        23.5372   33.3843   29.0266  H     
32   H        22.4098   34.2936   28.2032  H     
33   H        22.3325   32.6323   28.1516  H     
34   H        20.0023   39.7130   31.2632  H     
35   H        18.9002   43.9271   32.3558  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    5 1
     4    2   11 1
     5    2   18 1
     6    3   10 2
     7    3   17 1
     8    4    9 1
     9    4   15 2
    10    4   21 1
    11    5   12 1
    12    6   10 1
    13    6   11 2
    14    6   13 1
    15    7    8 1
    16    7   14 2
    17    7   19 1
    18    8   12 2
    19    9   13 1
    20    9   20 1
    21   12   22 1
    22   14   16 1
    23   14   23 1
    24   16   22 2
    25    8   24 1
    26    9   25 1
    27   10   26 1
    28   11   27 1
    29   13   28 1
    30   13   29 1
    31   16   30 1
    32   20   31 1
    33   20   32 1
    34   20   33 1
    35   22   34 1
    36   23   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0285
  Crash		| -1.2487
  Polar		| 4.0198
  FragIndex	| 1
  FragRMSD	| 0.534