@<TRIPOS>MOLECULE
BindingDB_14015
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.7740  136.3893   -2.5413  C     
2    C        16.2827  137.0064   -0.9267  C     
3    C        17.6758  137.5090   -0.4990  C     
4    O        18.2027  135.9173   -3.5880  O     
5    C        18.6565  136.8868   -1.5206  C     
6    N        19.4574  135.7661   -0.9639  N     
7    N        16.4945  136.4325   -2.2101  N     
8    C        15.4594  135.9106   -2.9423  C     
9    C        14.5890  136.8106   -3.5948  C     
10   C        13.4999  136.3361   -4.3440  C     
11   C        13.2767  134.9544   -4.4725  C     
12   C        15.2426  134.5076   -3.0670  C     
13   C        14.1499  134.0335   -3.8524  C     
14   C        16.0881  133.5564   -2.4459  C     
15   C        13.9612  132.6427   -4.0248  C     
16   C        14.8682  131.7257   -3.4672  C     
17   C        15.9475  132.1701   -2.6817  C     
18   C        20.5838  136.1575   -0.0885  C     
19   O        16.8046  131.2193   -2.1789  O     
20   C        21.2574  134.9322    0.5745  C     
21   C        20.3692  134.1166    1.4436  C     
22   C        19.4180  132.4766    2.5111  C     
23   C        19.6263  134.6133    2.5149  C     
24   C        18.1539  131.5036   -2.1727  C     
25   C        18.7798  131.5369   -0.9088  C     
26   C        18.9337  131.7281   -3.3382  C     
27   C        20.3134  131.9998   -3.2115  C     
28   C        20.9210  132.0324   -1.9466  C     
29   C        20.1618  131.8030   -0.7752  C     
30   C        20.7875  131.7940    0.5735  C     
31   C        18.4166  131.6929   -4.5363  C     
32   N        17.9675  131.6679   -5.5949  N     
33   N        20.2086  132.7728    1.4570  N     
34   N        19.0485  133.5884    3.1594  N     
35   H        15.9129  136.2443   -0.2314  H     
36   H        15.5689  137.8358   -0.9731  H     
37   H        17.7136  138.6009   -0.5586  H     
38   H        17.8898  137.2091    0.5291  H     
39   H        19.3109  137.6547   -1.9464  H     
40   H        18.8282  135.1551   -0.4368  H     
41   H        19.8459  135.2305   -1.7465  H     
42   H        14.7481  137.8219   -3.5354  H     
43   H        12.8772  136.9971   -4.8106  H     
44   H        12.4808  134.6315   -5.0312  H     
45   H        16.8456  133.8620   -1.8349  H     
46   H        13.1818  132.2872   -4.5822  H     
47   H        14.7485  130.7258   -3.6466  H     
48   H        21.3339  136.6766   -0.6934  H     
49   H        20.2538  136.8468    0.6939  H     
50   H        21.6888  134.3136   -0.2098  H     
51   H        22.0836  135.2897    1.1953  H     
52   H        19.1438  131.5346    2.8015  H     
53   H        19.5454  135.5916    2.8004  H     
54   H        18.2162  131.3582   -0.0747  H     
55   H        20.8934  132.1634   -4.0416  H     
56   H        21.9267  132.2093   -1.8848  H     
57   H        20.6583  130.7867    0.9848  H     
58   H        21.8665  131.9643    0.5205  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   12 1
    12    9   10 1
    13   10   11 2
    14   11   13 1
    15   12   13 2
    16   12   14 1
    17   13   15 1
    18   14   17 2
    19   15   16 2
    20   16   17 1
    21   17   19 1
    22   18   20 1
    23   19   24 1
    24   20   21 1
    25   21   23 2
    26   21   33 1
    27   22   33 1
    28   22   34 2
    29   23   34 1
    30   24   25 2
    31   24   26 1
    32   25   29 1
    33   26   27 2
    34   26   31 1
    35   27   28 1
    36   28   29 2
    37   29   30 1
    38   30   33 1
    39   31   32 3
    40    2   35 1
    41    2   36 1
    42    3   37 1
    43    3   38 1
    44    5   39 1
    45    6   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7780
  Crash		| -0.7445
  Polar		| 2.6836
  FragIndex	| 1
  FragRMSD	| 1.189