@<TRIPOS>MOLECULE
BindingDB_18512
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.7914    1.8588   11.0396  C     
2    C        28.8595    3.0842    9.3242  C     
3    N        28.0451    2.0851    9.7323  N     
4    N        29.4357    3.8942   10.2488  N     
5    N        26.9823    0.8210   11.3121  N     
6    N        29.1090    3.2635    8.0212  N     
7    C        28.3879    2.6783   12.0356  C     
8    C        28.1807    2.4293   13.4235  C     
9    C        27.9130    1.9552   16.2156  C     
10   C        27.6930    3.2454   15.6835  C     
11   C        27.8117    3.4783   14.3008  C     
12   C        28.3842    1.1336   13.9578  C     
13   C        28.2563    0.8985   15.3391  C     
14   Cl       27.8092    1.6926   17.8901  Cl    
15   C        29.2407    3.7286   11.5883  C     
16   C        29.9264    4.6684   12.5190  C     
17   C        31.1322    5.4476   11.9566  C     
18   H        26.7845    0.5899   12.2355  H     
19   H        26.6429    0.2796   10.5816  H     
20   H        29.7294    3.9530    7.7427  H     
21   H        28.6933    2.6984    7.3531  H     
22   H        27.4477    4.0186   16.3072  H     
23   H        27.6557    4.4209   13.9293  H     
24   H        28.6609    0.3512   13.3495  H     
25   H        28.4272   -0.0387   15.7162  H     
26   H        29.2018    5.3969   12.8766  H     
27   H        30.2919    4.0909   13.3788  H     
28   H        31.9580    4.7608   11.7186  H     
29   H        31.4846    6.1685   12.7070  H     
30   H        30.8386    6.0029   11.0667  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 1
     3    1    7 2
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    4   15 2
     8    7    8 1
     9    7   15 1
    10    8   11 1
    11    8   12 2
    12    9   10 1
    13    9   13 2
    14    9   14 1
    15   10   11 2
    16   12   13 1
    17   15   16 1
    18   16   17 1
    19    5   18 1
    20    5   19 1
    21    6   20 1
    22    6   21 1
    23   10   22 1
    24   11   23 1
    25   12   24 1
    26   13   25 1
    27   16   26 1
    28   16   27 1
    29   17   28 1
    30   17   29 1
    31   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5747
  Crash		| -0.8182
  Polar		| 2.8772
  FragIndex	| 1
  FragRMSD	| 1.319