@<TRIPOS>MOLECULE
BindingDB_11450
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.7007   27.2061    8.3189  C     
2    C         3.6583   28.1500    8.1944  C     
3    C         3.4670   28.8638    6.9862  C     
4    C         4.3737   28.6463    5.9296  C     
5    C         5.3906   27.6783    6.0373  C     
6    C         5.5514   26.9430    7.2284  C     
7    N         2.4684   29.7636    6.7717  N     
8    C         1.3709   29.9809    7.5024  C     
9    C         0.6518   28.9659    8.0429  C     
10   C        -0.3601   29.2464    8.9734  C     
11   C        -0.0768   31.5383    8.5298  C     
12   C         0.7336   33.3644    7.8163  C     
13   N        -0.7219   30.5432    9.1919  N     
14   N         0.9477   31.2525    7.6970  N     
15   N         1.4479   32.3675    7.2553  N     
16   N        -0.2204   32.8646    8.6141  N     
17   N         6.1135   24.2055    7.6793  N     
18   S         6.7851   25.7152    7.3909  S     
19   O         7.7182   25.6135    6.1059  O     
20   O         7.6742   26.0929    8.6524  O     
21   N        -0.9939   28.3288    9.7431  N     
22   C        -0.8763   26.8935    9.7244  C     
23   C         0.5554   26.3561   10.0416  C     
24   C         0.9885   26.6462   11.5026  C     
25   C        -0.0251   26.0586   12.5230  C     
26   C        -1.4707   26.5405   12.2288  C     
27   C        -1.8842   26.2883   10.7505  C     
28   O         0.0082   24.6261   12.4981  O     
29   H         4.8251   26.7052    9.2038  H     
30   H         3.0476   28.3194    8.9964  H     
31   H         4.2673   29.1563    5.0531  H     
32   H         5.9985   27.5100    5.2324  H     
33   H         2.5990   30.3473    6.0057  H     
34   H         0.8757   28.0204    7.8289  H     
35   H         0.9288   34.3520    7.6831  H     
36   H         6.6832   23.4200    7.6813  H     
37   H         5.1859   24.1289    7.9513  H     
38   H        -1.6271   28.6909   10.3864  H     
39   H        -1.1679   26.5574    8.7251  H     
40   H         0.5691   25.2756    9.8758  H     
41   H         1.2901   26.7889    9.3646  H     
42   H         1.9800   26.2131   11.6759  H     
43   H         1.0614   27.7301   11.6431  H     
44   H         0.2645   26.3866   13.5286  H     
45   H        -2.1666   26.0131   12.8865  H     
46   H        -1.5487   27.6074   12.4480  H     
47   H        -2.8823   26.7099   10.5871  H     
48   H        -1.9583   25.2066   10.5789  H     
49   H         0.9362   24.3822   12.7222  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8293
  Crash		| -1.1078
  Polar		| 4.4472
  FragIndex	| 1
  FragRMSD	| 0.374