@<TRIPOS>MOLECULE
BindingDB_14797
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5863    5.4898   12.0174  C     
2    C        14.5390    5.7219   11.1182  C     
3    N        15.0513    5.2724   13.2258  N     
4    N        13.7588    5.3646   13.1655  N     
5    C        17.0445    5.4754   11.7803  C     
6    C        14.6592    5.9561    9.7248  C     
7    O        15.8725    5.9249    9.1232  O     
8    O        13.5546    6.1842    8.9673  O     
9    C        13.5156    6.3911    7.5506  C     
10   C        12.0595    6.6002    7.1019  C     
11   C        12.9849    5.1741   14.2775  C     
12   C        13.0518    3.9233   14.9479  C     
13   C        12.2442    3.6695   16.0724  C     
14   C        11.3643    4.6631   16.5504  C     
15   C        11.3075    5.9146   15.9124  C     
16   C        12.1098    6.1736   14.7849  C     
17   C        13.3734    5.6448   11.8930  C     
18   C        11.9849    5.7934   11.3895  C     
19   Cl       12.0185    7.7280   14.1123  Cl    
20   H        17.2906    4.7232   11.0286  H     
21   H        17.5894    5.2448   12.7027  H     
22   H        17.3646    6.4590   11.4260  H     
23   H        14.1131    7.2666    7.2881  H     
24   H        13.9222    5.5153    7.0376  H     
25   H        11.4448    5.7504    7.4044  H     
26   H        12.0113    6.6887    6.0143  H     
27   H        11.6568    7.5135    7.5481  H     
28   H        13.6764    3.1874   14.6063  H     
29   H        12.2824    2.7611   16.5361  H     
30   H        10.7778    4.4807   17.3661  H     
31   H        10.6761    6.6353   16.2752  H     
32   H        11.8668    6.7819   10.9368  H     
33   H        11.2454    5.6814   12.1846  H     
34   H        11.7823    5.0305   10.6364  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   16   19 1
    20   17   18 1
    21    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0034
  Crash		| -0.9338
  Polar		| 1.5737
  FragIndex	| 1
  FragRMSD	| 0.232