@<TRIPOS>MOLECULE
BindingDB_11394
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.6583    3.9691   14.5833  C     
2    C        -2.4542    5.1109   13.9010  C     
3    N        -3.3797    6.0633   13.6045  N     
4    C        -3.0001    7.1613   12.7265  C     
5    C        -3.9109    8.4326   12.6449  C     
6    S        -5.0085    5.8494   14.0120  S     
7    O        -5.5930    6.7926   15.1294  O     
8    O        -5.9820    5.5266   12.8052  O     
9    C        -3.8914    3.5715   15.0778  C     
10   C        -5.0401    4.3289   14.8791  C     
11   C        -4.1355    2.3944   15.8174  C     
12   C        -5.4686    2.2225   16.2091  C     
13   S        -6.3748    3.5667   15.6353  S     
14   N        -7.8027    1.1665   17.3307  N     
15   S        -6.1585    0.9236   17.1177  S     
16   O        -6.0387   -0.3917   16.2367  O     
17   O        -5.4238    0.6174   18.4895  O     
18   C        -4.9958   10.2378   11.2815  C     
19   C        -6.5019   10.1299   11.6520  C     
20   C        -6.5966    7.8865   10.7816  C     
21   C        -5.0846    7.9303   10.4334  C     
22   N        -4.2996    8.9041   11.2693  N     
23   O        -7.1724    9.2076   10.7732  O     
24   H        -1.8803    3.3744   14.7463  H     
25   H        -1.5165    5.2602   13.6015  H     
26   H        -2.0092    7.5103   13.0293  H     
27   H        -2.8538    6.7376   11.7363  H     
28   H        -4.8206    8.2819   13.2317  H     
29   H        -3.3562    9.2363   13.1399  H     
30   H        -3.4059    1.7193   16.0574  H     
31   H        -8.4196    0.6606   16.7757  H     
32   H        -8.0993    2.0259   17.6711  H     
33   H        -4.9299   10.6643   10.2769  H     
34   H        -4.5010   10.9443   11.9553  H     
35   H        -6.6252    9.8148   12.6907  H     
36   H        -6.9760   11.1089   11.5467  H     
37   H        -7.1207    7.2844   10.0365  H     
38   H        -6.7532    7.4200   11.7557  H     
39   H        -4.6812    6.9200   10.4818  H     
40   H        -4.9967    8.2462    9.3924  H     
41   H        -3.4198    9.0522   10.7739  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    9 1
     3    2    3 1
     4    3    4 1
     5    3    6 1
     6    4    5 1
     7    5   22 1
     8    6    7 2
     9    6    8 2
    10    6   10 1
    11    9   10 2
    12    9   11 1
    13   10   13 1
    14   11   12 2
    15   12   13 1
    16   12   15 1
    17   14   15 am
    18   15   16 2
    19   15   17 2
    20   18   19 1
    21   18   22 1
    22   19   23 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    4   27 1
    30    5   28 1
    31    5   29 1
    32   11   30 1
    33   14   31 1
    34   14   32 1
    35   18   33 1
    36   18   34 1
    37   19   35 1
    38   19   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9825
  Crash		| -2.4003
  Polar		| 4.7167
  FragIndex	| 1
  FragRMSD	| 1.140