@<TRIPOS>MOLECULE
BindingDB_15313
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.3717    0.9030   10.1462  C     
2    C        61.1745   -0.2701    9.3880  C     
3    C        59.9248   -0.9215    9.3670  C     
4    C        58.8091   -0.4445   10.1119  C     
5    C        59.0332    0.7333   10.8787  C     
6    C        60.2707    1.4066   10.8711  C     
7    C        57.5512   -1.0950   10.0503  C     
8    C        56.4564   -0.9432   11.0411  C     
9    C        55.0537   -1.3412   10.4578  C     
10   C        55.1470   -2.4364    9.5107  C     
11   N        57.3415   -1.9510    9.0977  N     
12   N        56.2865   -2.6378    8.8663  N     
13   C        56.7858   -1.7642   12.3198  C     
14   O        54.1552   -3.0721    9.1864  O     
15   N        62.6092    1.4675   10.0777  N     
16   C        63.1179    2.5422   10.7046  C     
17   C        63.7825    5.0544   11.9765  C     
18   C        64.3717    4.5731   10.7243  C     
19   C        63.9187    3.4392   10.0494  C     
20   C        62.9515    2.6681   12.1613  C     
21   C        62.6512    4.1394   12.5284  C     
22   C        64.2424    3.2800    8.6138  C     
23   C        64.9634    2.0310    8.2405  C     
24   C        65.2547    0.0797    6.7735  C     
25   C        66.3853   -0.3645    7.5092  C     
26   C        66.7899    0.4341    8.6102  C     
27   C        66.1101    1.6098    8.9576  C     
28   C        64.5536    1.2431    7.1365  C     
29   O        65.3785    5.1764   10.3580  O     
30   N        67.0553   -1.5003    7.1681  N     
31   O        67.9915   -1.9195    7.8039  O     
32   O        66.7296   -2.2274    6.1322  O     
33   H        61.9433   -0.6807    8.8439  H     
34   H        59.8463   -1.7709    8.7913  H     
35   H        58.2887    1.1565   11.4318  H     
36   H        60.3618    2.2755   11.3955  H     
37   H        56.3559    0.1010   11.3365  H     
38   H        54.3542   -1.6006   11.2610  H     
39   H        54.6305   -0.4887    9.9155  H     
40   H        56.3214   -3.3286    8.1829  H     
41   H        56.8475   -2.8311   12.0919  H     
42   H        56.0102   -1.6185   13.0757  H     
43   H        57.7373   -1.4458   12.7528  H     
44   H        63.2051    1.0386    9.4420  H     
45   H        64.5765    5.1049   12.7275  H     
46   H        63.3965    6.0656   11.8329  H     
47   H        62.1629    2.0149   12.5560  H     
48   H        63.8954    2.3758   12.6367  H     
49   H        62.5834    4.2543   13.6090  H     
50   H        61.6932    4.4388   12.0951  H     
51   H        63.3048    3.3570    8.0623  H     
52   H        64.8631    4.0965    8.2300  H     
53   H        64.9345   -0.4509    5.9592  H     
54   H        67.6012    0.1619    9.1729  H     
55   H        66.4462    2.1583    9.7531  H     
56   H        63.7410    1.5197    6.5804  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    8 1
    10    7   11 2
    11    8    9 1
    12    8   13 1
    13    9   10 1
    14   10   12 1
    15   10   14 2
    16   11   12 1
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   29 2
    24   19   22 1
    25   20   21 1
    26   22   23 1
    27   23   27 2
    28   23   28 1
    29   24   25 1
    30   24   28 2
    31   25   26 2
    32   25   30 am
    33   26   27 1
    34   30   31 2
    35   30   32 1
    36    2   33 1
    37    3   34 1
    38    5   35 1
    39    6   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43   12   40 1
    44   13   41 1
    45   13   42 1
    46   13   43 1
    47   15   44 1
    48   17   45 1
    49   17   46 1
    50   20   47 1
    51   20   48 1
    52   21   49 1
    53   21   50 1
    54   22   51 1
    55   22   52 1
    56   24   53 1
    57   26   54 1
    58   27   55 1
    59   28   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5211
  Crash		| -1.0334
  Polar		| 3.3813
  FragIndex	| 1
  FragRMSD	| 1.114