@<TRIPOS>MOLECULE
BindingDB_91843
 65 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -11.6780   13.1381  -14.9595  C     
2    O       -12.0941   11.7745  -14.7656  O     
3    C       -11.4407   10.7211  -15.3547  C     
4    C       -12.1420    9.4944  -15.3605  C     
5    O       -13.4235    9.4660  -14.8990  O     
6    C       -11.5059    8.3282  -15.8364  C     
7    C       -10.1940    8.3845  -16.3447  C     
8    C        -9.5020    9.6187  -16.4163  C     
9    C        -8.2500    9.7237  -17.0823  C     
10   C        -7.1477    8.9133  -16.7271  C     
11   C        -5.9245    9.0180  -17.4143  C     
12   C        -5.7620    9.9209  -18.4953  C     
13   C        -4.5291   10.0877  -19.1869  C     
14   C        -3.2660    9.5708  -18.9098  C     
15   C        -2.5376    8.7372  -17.9390  C     
16   C        -1.1807    8.8324  -18.5190  C     
17   C        -1.1509    9.6355  -19.6611  C     
18   C         0.0404    9.8563  -20.3660  C     
19   C         1.2230    9.2505  -19.8970  C     
20   C         1.2365    8.4362  -18.7269  C     
21   C         2.4145    7.8425  -18.2438  C     
22   N         3.6187    8.2345  -18.6488  N     
23   C         4.8960    7.7109  -18.2427  C     
24   C         5.8161    8.8875  -17.8137  C     
25   C         7.2549    8.4055  -17.4873  C     
26   C         7.8725    7.5964  -18.6620  C     
27   C         6.9516    6.4237  -19.1054  C     
28   C         5.5160    6.9166  -19.4255  C     
29   O         9.1628    7.1021  -18.2991  O     
30   O         2.3363    6.9511  -17.4045  O     
31   C         0.0011    8.2370  -18.0480  C     
32   C        -2.4329   10.0821  -19.8734  C     
33   N        -3.1313   10.8786  -20.6887  N     
34   N        -4.3663   10.8674  -20.2861  N     
35   C        -6.8724   10.7242  -18.8502  C     
36   C        -8.0896   10.6287  -18.1547  C     
37   C       -10.1291   10.7757  -15.8880  C     
38   H       -11.5794   13.3893  -16.0185  H     
39   H       -10.7372   13.3164  -14.4422  H     
40   H       -12.4408   13.8029  -14.5116  H     
41   H       -13.7740    8.5741  -15.1026  H     
42   H       -12.0028    7.4377  -15.8146  H     
43   H        -9.7672    7.5276  -16.7041  H     
44   H        -7.2216    8.2346  -15.9669  H     
45   H        -5.1567    8.4084  -17.1333  H     
46   H        -2.5842    9.1740  -16.9377  H     
47   H        -2.9032    7.7080  -17.9367  H     
48   H         0.0522   10.4414  -21.2083  H     
49   H         2.0723    9.4218  -20.4346  H     
50   H         3.6512    8.9634  -19.2823  H     
51   H         4.7936    7.0247  -17.3931  H     
52   H         5.8658    9.6203  -18.6211  H     
53   H         5.3937    9.3838  -16.9341  H     
54   H         7.8841    9.2787  -17.2805  H     
55   H         7.2371    7.7819  -16.5901  H     
56   H         8.0111    8.2739  -19.5125  H     
57   H         6.9120    5.6750  -18.3142  H     
58   H         7.3831    5.9561  -19.9938  H     
59   H         5.5511    7.5485  -20.3193  H     
60   H         4.8897    6.0494  -19.6530  H     
61   H         9.0143    6.4872  -17.5453  H     
62   H        -0.0461    7.6733  -17.1905  H     
63   H        -6.8127   11.3911  -19.6292  H     
64   H        -8.8755   11.2032  -18.4671  H     
65   H        -9.6243   11.6666  -15.8981  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 ar
     4    4    5 1
     5    4    6 ar
     6    6    7 ar
     7    7    8 ar
     8    8    9 1
     9    9   10 ar
    10   10   11 ar
    11   11   12 ar
    12   12   13 1
    13   13   14 ar
    14   14   15 1
    15   15   16 1
    16   16   17 ar
    17   17   18 ar
    18   18   19 ar
    19   19   20 ar
    20   20   21 1
    21   21   22 am
    22   22   23 1
    23   23   24 1
    24   24   25 1
    25   25   26 1
    26   26   27 1
    27   27   28 1
    28   23   28 1
    29   26   29 1
    30   21   30 2
    31   20   31 ar
    32   16   31 ar
    33   14   32 ar
    34   17   32 1
    35   32   33 ar
    36   33   34 ar
    37   13   34 ar
    38   12   35 ar
    39   35   36 ar
    40    9   36 ar
    41    8   37 ar
    42    3   37 ar
    43    1   38 1
    44    1   39 1
    45    1   40 1
    46    5   41 1
    47    6   42 1
    48    7   43 1
    49   10   44 1
    50   11   45 1
    51   15   46 1
    52   15   47 1
    53   18   48 1
    54   19   49 1
    55   22   50 1
    56   23   51 1
    57   24   52 1
    58   24   53 1
    59   25   54 1
    60   25   55 1
    61   26   56 1
    62   27   57 1
    63   27   58 1
    64   28   59 1
    65   28   60 1
    66   29   61 1
    67   31   62 1
    68   35   63 1
    69   36   64 1
    70   37   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8442
  Crash		| -1.3491
  Polar		| 3.2494
  FragIndex	| 1
  FragRMSD	| 0.356