@<TRIPOS>MOLECULE
BindingDB_15317
 60 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.8947    1.0006   10.1936  C     
2    C        60.9305   -0.2220    9.4969  C     
3    C        59.8346   -1.0952    9.5140  C     
4    C        58.6510   -0.7752   10.2171  C     
5    C        58.5498    0.4875   10.8729  C     
6    C        59.6829    1.3483   10.8387  C     
7    C        57.5892   -1.6644   10.1472  C     
8    C        57.0341   -2.4194   11.2954  C     
9    C        55.4989   -2.6424   11.0729  C     
10   C        55.2063   -2.9752    9.6817  C     
11   N        57.1075   -1.9014    8.9683  N     
12   N        56.0403   -2.5704    8.7274  N     
13   C        57.3374   -1.8989   12.7327  C     
14   O        54.1429   -3.4887    9.3623  O     
15   N        62.0352    1.7360   10.0949  N     
16   C        62.5207    2.8258   10.7392  C     
17   C        63.2531    5.3612   11.7929  C     
18   C        64.0952    4.5947   10.8980  C     
19   C        63.5709    3.5194   10.2049  C     
20   C        62.0647    3.1150   12.1052  C     
21   C        62.6546    4.3744   12.8149  C     
22   C        64.1538    3.2253    8.8778  C     
23   C        64.6430    1.8307    8.6354  C     
24   C        64.9994   -0.0708    7.1171  C     
25   C        65.5428   -0.8305    8.1750  C     
26   C        65.6502   -0.2609    9.4566  C     
27   C        65.2187    1.0641    9.6868  C     
28   C        64.5474    1.2408    7.3516  C     
29   O        65.3022    4.7930   10.9195  O     
30   C        57.2920    0.9871   11.5344  C     
31   C        57.5055    1.6910   12.9120  C     
32   H        61.7684   -0.4971    8.9834  H     
33   H        59.9033   -1.9752    8.9930  H     
34   H        59.5858    2.2909   11.2215  H     
35   H        57.5123   -3.4048   11.2392  H     
36   H        55.1559   -3.4527   11.7201  H     
37   H        54.9384   -1.7284   11.3244  H     
38   H        55.8052   -2.7281    7.7981  H     
39   H        58.4122   -1.7856   12.8863  H     
40   H        56.9510   -2.6106   13.4616  H     
41   H        56.8828   -0.9208   12.9289  H     
42   H        62.6393    1.3891    9.4302  H     
43   H        63.8142    6.1353   12.3193  H     
44   H        62.4501    5.8432   11.2225  H     
45   H        60.9975    3.2067   12.1447  H     
46   H        62.3187    2.2521   12.7163  H     
47   H        63.4388    4.0649   13.5217  H     
48   H        61.8715    4.8742   13.4010  H     
49   H        63.4106    3.4942    8.1314  H     
50   H        65.0008    3.8720    8.6373  H     
51   H        64.9350   -0.4832    6.1848  H     
52   H        65.8840   -1.7803    8.0020  H     
53   H        66.0592   -0.8084   10.2231  H     
54   H        65.3080    1.4599   10.6246  H     
55   H        64.1492    1.7713    6.5691  H     
56   H        56.7994    1.6883   10.8653  H     
57   H        56.5616    0.1655   11.6831  H     
58   H        58.4626    1.4026   13.3669  H     
59   H        56.7077    1.4035   13.6134  H     
60   H        57.4592    2.7864   12.8098  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    5   30 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   13 1
    14    9   10 1
    15   10   12 1
    16   10   14 2
    17   11   12 1
    18   15   16 1
    19   16   19 2
    20   16   20 1
    21   17   18 1
    22   17   21 1
    23   18   19 1
    24   18   29 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   27 2
    29   23   28 1
    30   24   25 1
    31   24   28 2
    32   25   26 2
    33   26   27 1
    34   30   31 1
    35    2   32 1
    36    3   33 1
    37    6   34 1
    38    8   35 1
    39    9   36 1
    40    9   37 1
    41   12   38 1
    42   13   39 1
    43   13   40 1
    44   13   41 1
    45   15   42 1
    46   17   43 1
    47   17   44 1
    48   20   45 1
    49   20   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   24   51 1
    55   25   52 1
    56   26   53 1
    57   27   54 1
    58   28   55 1
    59   30   56 1
    60   30   57 1
    61   31   58 1
    62   31   59 1
    63   31   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9297
  Crash		| -2.6903
  Polar		| 2.0518
  FragIndex	| 1
  FragRMSD	| 1.093