@<TRIPOS>MOLECULE
BindingDB_8043
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.9712   45.7085    0.3584  C     
2    C         6.2329   47.6211    0.6244  C     
3    C         5.0717   48.1070    1.2765  C     
4    N         6.1379   46.3462    0.1536  N     
5    C         4.6268   44.3475   -0.0657  C     
6    C         7.5117   48.3355    0.4270  C     
7    S         3.9499   46.8023    1.1988  S     
8    C         4.7145   49.3517    1.8763  C     
9    C         5.5317   50.5068    1.9265  C     
10   C         4.9986   51.6932    2.4566  C     
11   C         2.9547   50.6008    2.9531  C     
12   N         3.4643   49.4669    2.4053  N     
13   N         3.7372   51.7089    2.9593  N     
14   N         1.6908   50.7004    3.4241  N     
15   C         0.7217   49.7367    3.4395  C     
16   C        -1.6584   49.1930    3.2021  C     
17   C        -0.6113   50.1336    3.2101  C     
18   C         0.9761   48.3710    3.7216  C     
19   C        -0.0716   47.4282    3.7381  C     
20   C        -1.3924   47.8361    3.4603  C     
21   Cl       -2.6574   46.7093    3.4405  Cl    
22   H         4.6919   44.2677   -1.1525  H     
23   H         3.6103   44.0965    0.2425  H     
24   H         5.3164   43.6331    0.3849  H     
25   H         7.3566   49.2243   -0.1866  H     
26   H         8.2402   47.7004   -0.0792  H     
27   H         7.9277   48.6224    1.3936  H     
28   H         6.4792   50.5215    1.5626  H     
29   H         5.5561   52.5464    2.4628  H     
30   H         1.3998   51.5958    3.6798  H     
31   H        -2.6192   49.5004    3.0196  H     
32   H        -0.8259   51.1132    3.0094  H     
33   H         1.9171   48.0563    3.9458  H     
34   H         0.1240   46.4457    3.9353  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24    5   22 1
    25    5   23 1
    26    5   24 1
    27    6   25 1
    28    6   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   14   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4545
  Crash		| -1.0506
  Polar		| 2.2410
  FragIndex	| 1
  FragRMSD	| 0.581