@<TRIPOS>MOLECULE
BindingDB_25798
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.4379   48.6034   35.7574  C     
2    C        52.8920   48.0988   34.4837  C     
3    C        52.2894   49.3659   34.3818  C     
4    C        51.0576   49.6404   35.0237  C     
5    O        50.3334   51.2179   33.6840  O     
6    C        50.4307   50.8749   34.8573  C     
7    C        49.2697   51.9219   38.2210  C     
8    C        50.3790   51.5447   37.2115  C     
9    C        49.1542   52.8521   35.4975  C     
10   C        48.1575   53.3196   36.6008  C     
11   N        49.9153   51.6524   35.8354  N     
12   N        48.7582   53.3090   37.9758  N     
13   C        49.6209   54.5394   38.2688  C     
14   C        48.7869   55.6365   38.8665  C     
15   C        47.2178   57.7331   39.9768  C     
16   C        48.2126   58.0248   39.0266  C     
17   C        48.9910   56.9871   38.4842  C     
18   C        47.7913   55.3697   39.8412  C     
19   C        47.0088   56.4047   40.3850  C     
20   C        50.8844   54.4249   39.0773  C     
21   C        50.9415   53.6495   40.2537  C     
22   C        52.1275   53.4915   40.9870  C     
23   C        53.2871   54.1824   40.5924  C     
24   C        53.2448   55.0193   39.4630  C     
25   C        52.0546   55.1468   38.7237  C     
26   C        51.0393   47.3356   35.8551  C     
27   F        46.5004   58.6957   40.4855  F     
28   F        54.3932   54.0401   41.2691  F     
29   C        52.2715   47.0672   35.2186  C     
30   C        52.9140   45.7371   35.2982  C     
31   H        49.5314   48.7576   36.2073  H     
32   H        53.7834   47.9313   34.0078  H     
33   H        52.7592   50.0880   33.8306  H     
34   H        48.4508   51.2106   38.0751  H     
35   H        49.5762   51.7615   39.2588  H     
36   H        51.2335   52.2124   37.3413  H     
37   H        50.7185   50.5437   37.4770  H     
38   H        48.5532   52.6987   34.5925  H     
39   H        49.8555   53.6613   35.2807  H     
40   H        47.7787   54.3170   36.3502  H     
41   H        47.2870   52.6549   36.5903  H     
42   H        47.9570   53.3814   38.6025  H     
43   H        49.9625   54.9012   37.2927  H     
44   H        48.3794   58.9906   38.7337  H     
45   H        49.7247   57.2288   37.8151  H     
46   H        47.6207   54.4143   40.1601  H     
47   H        46.2900   56.1887   41.0800  H     
48   H        50.1131   53.1574   40.5503  H     
49   H        52.1466   52.8789   41.8096  H     
50   H        54.0765   55.5415   39.1830  H     
51   H        52.0485   55.7820   37.9218  H     
52   H        50.5602   46.6055   36.3821  H     
53   H        53.0919   45.3485   34.2931  H     
54   H        52.2964   45.0152   35.8346  H     
55   H        53.8698   45.8242   35.8172  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   26 2
     3    2    3 1
     4    2   29 2
     5    3    4 2
     6    4    6 1
     7    5    6 2
     8    6   11 1
     9    7    8 1
    10    7   12 1
    11    8   11 1
    12    9   10 1
    13    9   11 1
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   13   20 1
    18   14   17 2
    19   14   18 1
    20   15   16 2
    21   15   19 1
    22   15   27 1
    23   16   17 1
    24   18   19 2
    25   20   21 2
    26   20   25 1
    27   21   22 1
    28   22   23 2
    29   23   24 1
    30   23   28 1
    31   24   25 2
    32   26   29 1
    33   29   30 1
    34    1   31 1
    35    2   32 1
    36    3   33 1
    37    7   34 1
    38    7   35 1
    39    8   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43   10   40 1
    44   10   41 1
    45   12   42 1
    46   13   43 1
    47   16   44 1
    48   17   45 1
    49   18   46 1
    50   19   47 1
    51   21   48 1
    52   22   49 1
    53   24   50 1
    54   25   51 1
    55   26   52 1
    56   30   53 1
    57   30   54 1
    58   30   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1032
  Crash		| -3.3289
  Polar		| 0.6815
  FragIndex	| 1
  FragRMSD	| 0.624