@<TRIPOS>MOLECULE
BindingDB_50300261
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.5985    3.7259   26.1584  C     
2    C         4.3693    3.1229   26.4643  C     
3    C         4.1557    2.5369   27.7234  C     
4    C         5.1750    2.5902   28.6995  C     
5    C         6.4216    3.1991   28.3940  C     
6    C         6.6478    3.7783   27.1096  C     
7    O         2.9187    2.0134   28.0124  O     
8    C         2.6606    0.6707   27.5511  C     
9    C         1.4857    0.7084   26.6728  C     
10   O         0.3511   -0.0083   26.8091  O     
11   N        -0.4422    0.3005   25.8211  N     
12   C         0.1813    1.2103   25.0524  C     
13   N         1.3864    1.4693   25.5751  N     
14   C        -0.3704    1.8225   23.8385  C     
15   C         7.8406    4.4204   26.7466  C     
16   O         7.7862    5.4848   26.1361  O     
17   C         9.0635    3.8200   26.7890  C     
18   C         9.3218    2.6382   25.9506  C     
19   C        10.0369    4.3444   27.5716  C     
20   Cl        7.5953    3.3002   29.6215  Cl    
21   Cl        4.8498    1.9069   30.2245  Cl    
22   C         9.2984    2.9567   24.4323  C     
23   H         5.7121    4.1194   25.2227  H     
24   H         3.6241    3.1061   25.7644  H     
25   H         3.4934    0.2220   26.9968  H     
26   H         2.4498    0.0477   28.4254  H     
27   H        -0.5766    1.0446   23.1040  H     
28   H         0.3351    2.5370   23.4078  H     
29   H        -1.2962    2.3432   24.0838  H     
30   H        10.2951    2.1897   26.1755  H     
31   H         8.5801    1.8634   26.1754  H     
32   H        10.9442    3.9424   27.5997  H     
33   H         9.8726    5.1509   28.1285  H     
34   H         8.2965    3.2484   24.1140  H     
35   H         9.6023    2.0810   23.8566  H     
36   H         9.9913    3.7707   24.2102  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    4   21 1
     8    5    6 2
     9    5   20 1
    10    6   15 1
    11    7    8 1
    12    8    9 1
    13    9   10 1
    14    9   13 2
    15   10   11 1
    16   11   12 2
    17   12   13 1
    18   12   14 1
    19   15   16 2
    20   15   17 1
    21   17   18 1
    22   17   19 2
    23   18   22 1
    24    1   23 1
    25    2   24 1
    26    8   25 1
    27    8   26 1
    28   14   27 1
    29   14   28 1
    30   14   29 1
    31   18   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   22   34 1
    36   22   35 1
    37   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.8154
  Crash		| -0.9662
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.528