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


@<TRIPOS>ATOM
1    C         5.4051   46.1420    1.6515  C     
2    C         6.4432   48.1599    1.2296  C     
3    C         5.2987   48.7020    1.8604  C     
4    N         6.4614   46.7936    1.1362  N     
5    C         5.2154   44.6845    1.6860  C     
6    C         7.5743   48.9123    0.6476  C     
7    S         4.3384   47.3297    2.2705  S     
8    C         4.8772   50.0219    2.1860  C     
9    C         5.7071   51.1696    2.1335  C     
10   C         5.1782   52.4023    2.5410  C     
11   C         3.0888   51.4002    3.0097  C     
12   N         3.6029   50.1995    2.6220  N     
13   N         3.8958   52.4813    2.9696  N     
14   N         1.8254   51.5818    3.4515  N     
15   C         0.7930   50.6853    3.4950  C     
16   C        -0.4284   48.7159    2.6672  C     
17   C         0.7304   49.5186    2.6918  C     
18   C        -0.3351   51.0031    4.3025  C     
19   C        -1.4828   50.1969    4.2973  C     
20   C        -1.5221   49.0349    3.5060  C     
21   Cl       -2.9308   48.0809    3.4728  Cl    
22   H         5.2200   44.2807    0.6758  H     
23   H         4.2677   44.4344    2.1623  H     
24   H         6.0271   44.2308    2.2555  H     
25   H         7.1960   49.6552   -0.0481  H     
26   H         8.2448   48.2465    0.1030  H     
27   H         8.1509   49.3944    1.4323  H     
28   H         6.6968   51.1292    1.8921  H     
29   H         5.7574   53.2420    2.5233  H     
30   H         1.6321   52.4597    3.8213  H     
31   H        -0.4652   47.9028    2.0524  H     
32   H         1.5019   49.2862    2.0528  H     
33   H        -0.3353   51.8305    4.8963  H     
34   H        -2.2879   50.4437    4.8732  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	| 7.2541
  Crash		| -0.8470
  Polar		| 3.1501
  FragIndex	| 1
  FragRMSD	| 0.223