@<TRIPOS>MOLECULE
BindingDB_11397
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2781    3.7404   15.1468  C     
2    C        -3.2025    4.9853   14.6080  C     
3    N        -4.3197    5.6041   14.1443  N     
4    C        -4.4395    5.9932   12.7615  C     
5    S        -5.7533    5.4797   15.0467  S     
6    O        -5.7974    6.4570   16.3009  O     
7    O        -7.0924    5.5557   14.1909  O     
8    C        -4.4568    3.1450   15.5827  C     
9    C        -5.6632    3.8533   15.6105  C     
10   C        -4.5698    1.8485   16.1297  C     
11   C        -5.8507    1.5143   16.5857  C     
12   S        -6.8726    2.8717   16.3235  S     
13   N        -5.6725   -1.2812   16.5331  N     
14   S        -6.3430    0.0326   17.3423  S     
15   O        -5.6489    0.0681   18.7687  O     
16   O        -7.9222   -0.0898   17.4829  O     
17   C        -1.8857    5.6576   14.6518  C     
18   C        -1.6947    9.3745   15.8065  C     
19   C        -1.7130    7.8316   15.9309  C     
20   C        -0.7923    7.6851   13.6249  C     
21   C        -0.8345    9.2327   13.5522  C     
22   N        -1.8284    7.1708   14.5822  N     
23   O        -0.6779    9.7987   14.8752  O     
24   H        -2.4304    3.2702   15.3665  H     
25   H        -4.6879    7.0570   12.7037  H     
26   H        -5.2185    5.4253   12.2574  H     
27   H        -3.5150    5.8381   12.2119  H     
28   H        -3.7771    1.2084   16.2128  H     
29   H        -5.3750   -2.0552   17.0523  H     
30   H        -5.3176   -1.1412   15.6310  H     
31   H        -1.4374    5.3474   15.6149  H     
32   H        -1.2380    5.2026   13.8756  H     
33   H        -2.6636    9.7534   15.4874  H     
34   H        -1.4725    9.7995   16.7869  H     
35   H        -0.7953    7.5069   16.4300  H     
36   H        -2.5633    7.5432   16.5683  H     
37   H        -0.9683    7.2867   12.6206  H     
38   H         0.2110    7.3748   13.9407  H     
39   H        -0.0156    9.6007   12.9247  H     
40   H        -1.7747    9.5500   13.1010  H     
41   H        -2.7240    7.4879   14.2193  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   22 1
    20   18   19 1
    21   18   23 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   21   23 1
    26    1   24 1
    27    4   25 1
    28    4   26 1
    29    4   27 1
    30   10   28 1
    31   13   29 1
    32   13   30 1
    33   17   31 1
    34   17   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	| 5.4934
  Crash		| -1.8809
  Polar		| 1.6872
  FragIndex	| 1
  FragRMSD	| 0.312