@<TRIPOS>MOLECULE
BindingDB_13180
 71 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.0094   -9.9584   -1.0360  C     
2    N        -5.4052   -9.5197   -1.2107  N     
3    C        -6.4389  -10.5240   -0.8793  C     
4    C        -6.7803  -10.4956    0.5320  C     
5    C        -7.6775  -10.2801   -1.7897  C     
6    O        -7.4822   -9.5797    0.9632  O     
7    N        -6.3914  -11.4700    1.3474  N     
8    C        -6.8497  -11.7483    2.6910  C     
9    C        -5.7260  -11.6394    3.6521  C     
10   O        -4.6384  -12.0275    3.2375  O     
11   C        -4.6307  -11.1014    5.8114  C     
12   C        -6.9082  -10.4543    5.4570  C     
13   C        -6.4158   -9.7691    6.7494  C     
14   C        -5.2036  -10.6105    7.1652  C     
15   N        -5.7703  -11.1411    4.9057  N     
16   C        -3.8471  -12.3184    6.0044  C     
17   O        -4.4241  -13.4112    5.9986  O     
18   N        -2.5188  -12.2249    6.0641  N     
19   C        -1.5591  -13.2932    6.0464  C     
20   C         0.7598  -13.0987    7.9671  C     
21   C        -0.7003  -13.2881    8.4594  C     
22   C        -1.5388  -14.0477    7.4114  C     
23   C         0.8926  -12.7046    6.5378  C     
24   C        -0.2185  -12.7450    5.6397  C     
25   C         2.1641  -12.2961    6.0557  C     
26   C        -0.0358  -12.2759    4.3176  C     
27   C         1.2260  -11.8458    3.8648  C     
28   C         2.3307  -11.8747    4.7323  C     
29   C        -7.6384  -13.1205    2.7178  C     
30   C        -6.6907  -14.3627    2.5714  C     
31   C        -8.4362  -13.2669    4.0675  C     
32   C        -8.6950  -13.1770    1.5547  C     
33   H        -3.8534  -10.3512   -0.0315  H     
34   H        -3.3593   -9.1011   -1.1880  H     
35   H        -3.7553  -10.7307   -1.7652  H     
36   H        -5.5708   -8.6944   -0.6314  H     
37   H        -5.5180   -9.2367   -2.1862  H     
38   H        -6.0623  -11.5129   -1.1452  H     
39   H        -8.0361   -9.2540   -1.6786  H     
40   H        -8.4870  -10.9647   -1.5310  H     
41   H        -7.4090  -10.4462   -2.8348  H     
42   H        -5.7576  -12.1099    0.9826  H     
43   H        -7.5924  -10.9958    2.9435  H     
44   H        -3.9841  -10.3097    5.4075  H     
45   H        -7.7273  -11.1510    5.6756  H     
46   H        -7.2630   -9.6685    4.7799  H     
47   H        -6.0852   -8.7428    6.5302  H     
48   H        -7.1907   -9.7458    7.5277  H     
49   H        -5.5472  -11.4475    7.7899  H     
50   H        -4.4689  -10.0140    7.7183  H     
51   H        -2.1714  -11.3177    6.0115  H     
52   H        -1.8572  -14.0195    5.2763  H     
53   H         1.2197  -12.3261    8.5923  H     
54   H         1.3179  -14.0272    8.1183  H     
55   H        -0.7030  -13.8384    9.3985  H     
56   H        -1.1526  -12.3116    8.6356  H     
57   H        -2.5555  -14.1833    7.7854  H     
58   H        -1.1066  -15.0408    7.2606  H     
59   H         2.9731  -12.2917    6.6838  H     
60   H        -0.8206  -12.2614    3.6625  H     
61   H         1.3435  -11.5241    2.9013  H     
62   H         3.2498  -11.5801    4.4003  H     
63   H        -6.0851  -14.2812    1.6639  H     
64   H        -7.2627  -15.2890    2.5125  H     
65   H        -6.0165  -14.4412    3.4302  H     
66   H        -7.7494  -13.2768    4.9183  H     
67   H        -9.0141  -14.1984    4.0754  H     
68   H        -9.1370  -12.4269    4.1805  H     
69   H        -9.3281  -12.2890    1.5658  H     
70   H        -9.3363  -14.0479    1.6369  H     
71   H        -8.1943  -13.2273    0.5810  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    3    5 1
     5    4    6 2
     6    4    7 am
     7    7    8 1
     8    8    9 1
     9    8   29 1
    10    9   10 2
    11    9   15 am
    12   11   14 1
    13   11   15 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 2
    19   16   18 am
    20   19   18 1
    21   19   22 1
    22   19   24 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26   23   24 2
    27   23   25 1
    28   24   26 1
    29   25   28 2
    30   26   27 2
    31   27   28 1
    32   29   30 1
    33   29   31 1
    34   29   32 1
    35    1   33 1
    36    1   34 1
    37    1   35 1
    38    2   36 1
    39    2   37 1
    40    3   38 1
    41    5   39 1
    42    5   40 1
    43    5   41 1
    44    7   42 1
    45    8   43 1
    46   11   44 1
    47   12   45 1
    48   12   46 1
    49   13   47 1
    50   13   48 1
    51   14   49 1
    52   14   50 1
    53   18   51 1
    54   19   52 1
    55   20   53 1
    56   20   54 1
    57   21   55 1
    58   21   56 1
    59   22   57 1
    60   22   58 1
    61   25   59 1
    62   26   60 1
    63   27   61 1
    64   28   62 1
    65   30   63 1
    66   30   64 1
    67   30   65 1
    68   31   66 1
    69   31   67 1
    70   31   68 1
    71   32   69 1
    72   32   70 1
    73   32   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0654
  Crash		| -2.1085
  Polar		| 3.6916
  FragIndex	| 1
  FragRMSD	| 1.142