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


@<TRIPOS>ATOM
1    C         2.3612   48.1655  -12.2079  C     
2    C         1.2543   48.5856  -11.4670  C     
3    N         3.4606   48.3832  -11.4689  N     
4    N         3.1262   48.9055  -10.3311  N     
5    C         2.4005   47.5557  -13.5479  C     
6    C        -0.0959   48.6074  -11.8859  C     
7    O        -0.3940   48.6190  -13.2071  O     
8    O        -1.0950   48.6619  -10.9651  O     
9    C        -2.5124   48.7515  -11.1646  C     
10   C        -3.1237   49.7311  -10.1444  C     
11   C         4.0607   49.2666   -9.4095  C     
12   C         4.5797   50.5818   -9.4359  C     
13   C         5.5673   50.9762   -8.5159  C     
14   C         6.0362   50.0646   -7.5535  C     
15   C         5.5003   48.7654   -7.4972  C     
16   C         4.5193   48.3581   -8.4238  C     
17   C         1.7819   49.0369  -10.2517  C     
18   C         1.0171   49.5814   -9.1074  C     
19   Cl        3.8926   46.7861   -8.3067  Cl    
20   H         1.8020   46.6434  -13.5538  H     
21   H         3.4261   47.3020  -13.8248  H     
22   H         2.0043   48.2527  -14.2872  H     
23   H        -2.7604   49.0828  -12.1764  H     
24   H        -2.9401   47.7590  -11.0098  H     
25   H        -2.9193   49.3889   -9.1276  H     
26   H        -4.2056   49.7911  -10.2831  H     
27   H        -2.6973   50.7275  -10.2744  H     
28   H         4.2447   51.2568  -10.1296  H     
29   H         5.9485   51.9234   -8.5522  H     
30   H         6.7471   50.3548   -6.8793  H     
31   H         5.8287   48.1210   -6.7755  H     
32   H         0.3887   48.7968   -8.6838  H     
33   H         0.3903   50.4019   -9.4507  H     
34   H         1.6721   49.9559   -8.3214  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	| 5.3484
  Crash		| -0.4388
  Polar		| 1.1174
  FragIndex	| 1
  FragRMSD	| 0.123