@<TRIPOS>MOLECULE
BindingDB_15270
 56 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5855   13.7704    0.6199  C     
2    O         1.3705   14.4057    1.3102  O     
3    N         0.8141   13.5270   -0.6749  N     
4    N        -0.4831   13.3666    1.2863  N     
5    C         1.8208   13.9178   -1.5258  C     
6    C         2.9151   14.7454   -1.1612  C     
7    C         1.7373   13.4956   -2.8769  C     
8    C         3.8983   15.1405   -2.0889  C     
9    C         2.6715   13.9751   -3.8204  C     
10   C         3.7664   14.7937   -3.4624  C     
11   Cl        5.1648   16.0358   -1.4113  Cl    
12   N        -1.5512   11.9529   -0.3233  N     
13   N        -3.7686   11.8208    1.2014  N     
14   C        -1.5438   12.6329    0.8557  C     
15   C        -3.7603   11.1582    0.0138  C     
16   C        -2.7068   12.5454    1.6508  C     
17   C        -2.5979   11.2266   -0.7785  C     
18   O        -2.4793   10.5995   -1.9950  O     
19   O         0.7523   12.6032   -3.2620  O     
20   C         1.2171   11.3876   -3.9087  C     
21   C        -2.0501   10.8866   -4.4305  C     
22   C        -2.4913   11.5290   -3.0915  C     
23   C         0.3600   10.1641   -3.5097  C     
24   C        -0.8910    9.8604   -4.3794  C     
25   C        -4.8233   10.5227   -0.3759  C     
26   N        -5.7630    9.9710   -0.7457  N     
27   N         4.5528   15.1064   -4.5277  N     
28   C         5.9084   15.5447   -4.6689  C     
29   C         6.8821   14.3354   -4.7337  C     
30   C         6.8451   13.5586   -6.0802  C     
31   C         6.0080   12.2440   -6.0440  C     
32   H         0.1387   12.9831   -1.1077  H     
33   H        -0.5425   13.6724    2.2056  H     
34   H         3.0131   15.0707   -0.1984  H     
35   H         2.5522   13.6930   -4.7924  H     
36   H        -2.7643   13.0198    2.5506  H     
37   H         1.1948   11.5258   -4.9961  H     
38   H         2.2559   11.1658   -3.6236  H     
39   H        -2.9218   10.3775   -4.8574  H     
40   H        -1.7893   11.6901   -5.1236  H     
41   H        -3.5116   11.9101   -3.2066  H     
42   H        -1.8306   12.3849   -2.9066  H     
43   H         1.0078    9.2859   -3.5798  H     
44   H         0.0770   10.2615   -2.4590  H     
45   H        -1.3014    8.9122   -4.0173  H     
46   H        -0.5515    9.6841   -5.4037  H     
47   H         4.1224   14.9593   -5.3841  H     
48   H         5.9666   16.0914   -5.6093  H     
49   H         6.2477   16.2159   -3.8917  H     
50   H         7.8958   14.7250   -4.5887  H     
51   H         6.6775   13.6603   -3.8880  H     
52   H         6.4504   14.1916   -6.8883  H     
53   H         7.8663   13.2856   -6.3648  H     
54   H         6.4689   11.5239   -5.3673  H     
55   H         5.9746   11.8036   -7.0436  H     
56   H         4.9831   12.4395   -5.7156  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32   29   30 1
    33   30   31 1
    34    3   32 1
    35    4   33 1
    36    6   34 1
    37    9   35 1
    38   16   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   27   47 1
    50   28   48 1
    51   28   49 1
    52   29   50 1
    53   29   51 1
    54   30   52 1
    55   30   53 1
    56   31   54 1
    57   31   55 1
    58   31   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8762
  Crash		| -2.9633
  Polar		| 4.0492
  FragIndex	| 1
  FragRMSD	| 0.855