@<TRIPOS>MOLECULE
BindingDB_19770
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.5586  -34.9741   -1.9749  C     
2    C        32.7668  -35.4007   -1.2701  C     
3    C        33.2497  -32.9950   -0.2896  C     
4    C        31.9271  -32.2155   -0.5579  C     
5    C        31.4248  -33.6551   -2.5668  C     
6    O        30.5474  -35.6782   -1.9188  O     
7    N        31.0117  -32.7218   -1.5551  N     
8    C        29.3491  -30.4491   -2.0069  C     
9    C        29.4163  -28.8514   -3.7822  C     
10   C        29.2763  -29.4156   -1.0495  C     
11   C        29.2795  -28.0779   -1.4893  C     
12   C        29.3554  -27.7872   -2.8627  C     
13   N        29.4175  -30.1299   -3.3265  N     
14   S        29.4219  -32.1227   -1.5442  S     
15   O        28.4698  -32.9353   -2.5268  O     
16   O        28.7781  -32.3625   -0.1118  O     
17   N        33.8961  -35.4082   -2.1831  N     
18   C        34.7271  -36.4104   -2.4652  C     
19   O        34.5562  -37.5223   -1.9638  O     
20   C        35.8542  -36.2252   -3.3868  C     
21   C        35.4806  -36.7004   -4.8298  C     
22   C        36.6217  -36.6063   -5.9003  C     
23   C        36.3054  -37.4938   -7.1365  C     
24   C        36.9276  -35.1523   -6.3577  C     
25   N        37.0170  -36.9428   -2.9168  N     
26   C        38.1689  -36.4500   -2.4779  C     
27   O        38.3389  -35.2350   -2.3598  O     
28   C        39.2203  -37.3090   -2.2181  C     
29   C        40.5323  -36.9758   -1.8594  C     
30   O        39.1265  -38.6678   -2.2736  O     
31   C        40.3322  -39.1918   -1.9505  C     
32   C        41.2305  -38.1609   -1.6825  C     
33   C        42.5522  -38.4385   -1.2851  C     
34   C        42.9498  -39.7856   -1.1405  C     
35   C        42.0369  -40.8302   -1.4089  C     
36   C        40.7224  -40.5400   -1.8335  C     
37   C        33.0639  -34.5223   -0.0025  C     
38   C        34.2806  -35.0925    0.7856  C     
39   H        32.5857  -36.4194   -0.9039  H     
40   H        33.9334  -32.8542   -1.1310  H     
41   H        33.7241  -32.5209    0.5754  H     
42   H        31.4059  -32.1525    0.4016  H     
43   H        32.1953  -31.1950   -0.8434  H     
44   H        32.3711  -33.3279   -3.0013  H     
45   H        30.7292  -33.7001   -3.4109  H     
46   H        29.4643  -28.6675   -4.7841  H     
47   H        29.2272  -29.6228   -0.0497  H     
48   H        29.2254  -27.3165   -0.8068  H     
49   H        29.3623  -26.8185   -3.1889  H     
50   H        34.0624  -34.5734   -2.6529  H     
51   H        36.0687  -35.1539   -3.4499  H     
52   H        35.1524  -37.7427   -4.7664  H     
53   H        34.6252  -36.1145   -5.1831  H     
54   H        37.5406  -37.0072   -5.4642  H     
55   H        36.0802  -38.5170   -6.8307  H     
56   H        37.1664  -37.5362   -7.8047  H     
57   H        35.4505  -37.0986   -7.6906  H     
58   H        36.0556  -34.7068   -6.8395  H     
59   H        37.7570  -35.1446   -7.0691  H     
60   H        37.2172  -34.5269   -5.5155  H     
61   H        36.9794  -37.9102   -3.0123  H     
62   H        40.9124  -36.0365   -1.7359  H     
63   H        43.2036  -37.6799   -1.0733  H     
64   H        43.8932  -40.0076   -0.8178  H     
65   H        42.3243  -41.8052   -1.2778  H     
66   H        40.0596  -41.2915   -2.0242  H     
67   H        32.2059  -34.6192    0.6690  H     
68   H        34.1597  -36.1648    0.9627  H     
69   H        34.3664  -34.6014    1.7585  H     
70   H        35.2124  -34.9334    0.2341  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2415
  Crash		| -2.0281
  Polar		| 4.3330
  FragIndex	| 1
  FragRMSD	| 1.051