@<TRIPOS>MOLECULE
BindingDB_29038
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.1691   33.7680   35.9643  C     
2    C        38.5226   32.5614   36.6130  C     
3    C        38.3838   32.4235   38.0084  C     
4    C        37.8372   33.4873   38.7464  C     
5    C        37.4873   34.6813   38.1116  C     
6    C        37.6490   34.8669   36.7181  C     
7    C        38.9612   31.3482   38.7137  C     
8    N        37.3211   36.1538   36.3505  N     
9    C        37.3869   36.8923   35.2496  C     
10   C        36.9612   38.1993   35.3011  C     
11   O        37.7191   36.4017   34.1786  O     
12   C        37.3458   39.0633   36.2770  C     
13   C        36.1597   38.5893   34.3720  C     
14   N        35.4672   38.9321   33.5225  N     
15   C        36.8026   40.4033   36.4699  C     
16   O        38.2776   38.7114   37.1639  O     
17   C        38.4608   30.0308   38.6385  C     
18   C        38.9873   29.0315   39.4799  C     
19   C        40.0290   29.3275   40.3705  C     
20   C        40.5556   30.6276   40.4203  C     
21   C        40.0204   31.6332   39.6042  C     
22   Cl       38.5225   33.7892   34.3096  Cl    
23   H        38.9529   31.7987   36.0793  H     
24   H        37.7422   33.4246   39.7630  H     
25   H        37.1362   35.4384   38.7057  H     
26   H        36.9322   36.6535   37.0844  H     
27   H        37.0340   41.0222   35.5992  H     
28   H        37.2239   40.8896   37.3550  H     
29   H        35.7169   40.3531   36.6105  H     
30   H        39.1179   38.6852   36.6470  H     
31   H        37.7016   29.7985   37.9954  H     
32   H        38.6193   28.0823   39.4476  H     
33   H        40.4201   28.5956   40.9666  H     
34   H        41.3188   30.8495   41.0590  H     
35   H        40.3953   32.5823   39.6829  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6    8 1
    10    7   17 2
    11    7   21 1
    12    8    9 am
    13    9   10 1
    14    9   11 2
    15   10   12 2
    16   10   13 1
    17   12   15 1
    18   12   16 1
    19   13   14 3
    20   17   18 1
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28   15   27 1
    29   15   28 1
    30   15   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9201
  Crash		| -6.2882
  Polar		| 3.7824
  FragIndex	| 1
  FragRMSD	| 0.546