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


@<TRIPOS>ATOM
1    C         5.2896   18.7303   94.1547  C     
2    C         6.2033   19.5507   94.8531  C     
3    C         5.0557   18.9703   92.7858  C     
4    C         9.1506   22.9283   90.8029  C     
5    O         4.6402   17.6897   94.7694  O     
6    C         6.5942   20.8813   92.8227  C     
7    C         1.9476   17.1785   97.2241  C     
8    C         3.1096   17.0081   96.4452  C     
9    C         8.4231   21.7051   91.1985  C     
10   C         5.6826   20.0482   92.1360  C     
11   C         6.8422   20.6146   94.1909  C     
12   C         3.4943   17.9690   95.4867  C     
13   C         7.2280   22.0443   92.1386  C     
14   C         1.1498   18.3316   97.0527  C     
15   O        10.3091   22.8500   90.1140  O     
16   C         1.5094   19.2858   96.0821  C     
17   I         3.8019   17.7574   91.7030  I     
18   I         6.6115   19.2517   96.8458  I     
19   I         1.4467   15.7061   98.5708  I     
20   N         8.0327   20.9916   89.9767  N     
21   O         8.6263   24.1549   91.0111  O     
22   C         2.6613   19.1014   95.2969  C     
23   O         0.0142   18.5509   97.7627  O     
24   H         3.6815   16.1703   96.5786  H     
25   H         9.1101   21.0542   91.7390  H     
26   H         5.4557   20.2264   91.1570  H     
27   H         7.4905   21.2023   94.7203  H     
28   H         6.4580   22.5835   91.5775  H     
29   H         7.6053   22.7370   92.8948  H     
30   H         0.9269   20.1142   95.9374  H     
31   H         7.1987   21.4218   89.5749  H     
32   H         7.8338   20.0161   90.2048  H     
33   H         8.7957   21.0209   89.2965  H     
34   H         2.8906   19.8025   94.5903  H     
35   H         0.2221   18.3560   98.6990  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	| 8.1144
  Crash		| -2.9955
  Polar		| 4.2429
  FragIndex	| 1
  FragRMSD	| 0.437