@<TRIPOS>MOLECULE
BindingDB_15302
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.9887    1.4275   10.1702  C     
2    C        60.0461    1.5171   11.2197  C     
3    C        58.8877    0.7122   11.2120  C     
4    C        58.6190   -0.2169   10.1674  C     
5    C        59.5963   -0.3040    9.1373  C     
6    C        60.7527    0.4949    9.1429  C     
7    N        62.1411    2.1368   10.0664  N     
8    C        57.4428   -1.0099   10.1201  C     
9    C        56.3515   -0.9536   11.1176  C     
10   C        54.9718   -1.3666   10.4996  C     
11   C        55.1168   -2.4632    9.5605  C     
12   N        57.2964   -1.8870    9.1757  N     
13   N        56.2764   -2.6342    8.9414  N     
14   C        56.7168   -1.8463   12.3412  C     
15   O        54.1421   -3.1065    9.1952  O     
16   C        62.6079    3.1500   10.8023  C     
17   C        63.5112    5.2370   12.5642  C     
18   C        64.3856    4.2819   11.8819  C     
19   C        63.9247    3.1965   11.1490  C     
20   C        61.7489    4.3280   10.9953  C     
21   C        61.9974    4.9272   12.3995  C     
22   O        65.5858    4.5561   11.9084  O     
23   C        64.8153    2.0277   10.9377  C     
24   C        64.8624    1.4543    9.5577  C     
25   C        65.2070   -0.4871    8.0837  C     
26   C        64.9332    0.3097    6.9588  C     
27   C        64.6651    1.6806    7.1201  C     
28   C        64.6327    2.2487    8.4097  C     
29   C        65.1802    0.0856    9.3693  C     
30   H        60.1990    2.1554   12.0015  H     
31   H        58.2453    0.8259   11.9982  H     
32   H        59.4754   -0.9456    8.3479  H     
33   H        61.4176    0.4023    8.3717  H     
34   H        62.7236    1.8569    9.3451  H     
35   H        56.2176    0.0715   11.4764  H     
36   H        54.2544   -1.6267   11.2841  H     
37   H        54.5566   -0.5206    9.9418  H     
38   H        56.3446   -3.3081    8.2453  H     
39   H        56.7919   -2.8967   12.0462  H     
40   H        55.9532   -1.7602   13.1196  H     
41   H        57.6717   -1.5401   12.7754  H     
42   H        63.7567    5.2561   13.6302  H     
43   H        63.7009    6.2377   12.1616  H     
44   H        62.0050    5.0765   10.2365  H     
45   H        60.6882    4.1053   10.8716  H     
46   H        61.6808    4.2096   13.1617  H     
47   H        61.4059    5.8407   12.5259  H     
48   H        65.8558    2.2439   11.2030  H     
49   H        64.4869    1.2606   11.6465  H     
50   H        65.4185   -1.4816    7.9663  H     
51   H        64.9295   -0.1094    6.0250  H     
52   H        64.4902    2.2622    6.2989  H     
53   H        64.4253    3.2429    8.5051  H     
54   H        65.3773   -0.5138   10.1741  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    8 1
     8    5    6 1
     9    7   16 1
    10    8    9 1
    11    8   12 2
    12    9   10 1
    13    9   14 1
    14   10   11 1
    15   11   13 1
    16   11   15 2
    17   12   13 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   22 2
    24   19   23 1
    25   20   21 1
    26   23   24 1
    27   24   28 1
    28   24   29 2
    29   25   26 2
    30   25   29 1
    31   26   27 1
    32   27   28 2
    33    2   30 1
    34    3   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   10   37 1
    41   13   38 1
    42   14   39 1
    43   14   40 1
    44   14   41 1
    45   17   42 1
    46   17   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   23   48 1
    52   23   49 1
    53   25   50 1
    54   26   51 1
    55   27   52 1
    56   28   53 1
    57   29   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3488
  Crash		| -1.5867
  Polar		| 2.6915
  FragIndex	| 1
  FragRMSD	| 0.562