@<TRIPOS>MOLECULE
BindingDB_14696
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.3771   13.9878   23.1634  C     
2    C        21.1434   12.8852   22.6828  C     
3    C        20.5113   11.6984   22.2455  C     
4    C        19.1020   11.5846   22.2783  C     
5    C        18.3301   12.6722   22.7514  C     
6    C        18.9561   13.8566   23.1985  C     
7    C        21.0044   15.1968   23.5861  C     
8    C        22.3086   17.6548   24.3624  C     
9    C        21.0454   17.6654   23.7048  C     
10   C        20.4068   16.4635   23.3244  C     
11   C        22.2581   15.1904   24.2615  C     
12   C        22.8985   16.3891   24.6414  C     
13   C        23.0197   18.9318   24.6520  C     
14   C        20.5445   19.3533   27.1194  C     
15   C        21.9647   19.8330   26.7186  C     
16   C        21.5811   20.9142   24.5517  C     
17   C        19.2888   21.0518   25.5702  C     
18   C        19.4498   20.4331   26.9827  C     
19   N        22.1635   19.9362   25.2751  N     
20   O        21.8721   21.0367   23.3655  O     
21   C        20.5345   21.8405   25.0435  C     
22   N        20.0305   22.7421   24.0285  N     
23   C        20.6164   23.8248   23.5269  C     
24   O        21.7024   24.1953   23.9649  O     
25   C        19.9609   24.5233   22.4206  C     
26   N        20.3771   25.9050   22.3558  N     
27   C        19.6046   26.9736   22.4809  C     
28   C        20.2110   28.2814   22.4216  C     
29   O        18.4030   26.8768   22.6918  O     
30   C        20.2656   23.8129   21.0692  C     
31   C        19.5045   24.3818   19.9235  C     
32   C        17.4466   24.5488   18.6042  C     
33   C        18.1584   24.0215   19.6942  C     
34   C        20.1127   25.2983   19.0324  C     
35   C        19.3998   25.8559   17.9464  C     
36   C        18.0513   25.4664   17.7157  C     
37   C        17.2971   25.9359   16.6166  C     
38   O        17.6704   25.6525   15.3402  O     
39   O        16.1269   26.6058   16.7944  O     
40   C        20.0376   26.8172   17.2049  C     
41   O        20.2452   26.6272   16.0206  O     
42   H        22.1747   12.9495   22.6273  H     
43   H        21.0766   10.9121   21.8950  H     
44   H        18.6496   10.7255   21.9647  H     
45   H        17.3039   12.5936   22.7804  H     
46   H        18.3776   14.6337   23.5558  H     
47   H        20.5909   18.5603   23.4720  H     
48   H        19.4904   16.5174   22.8370  H     
49   H        22.7106   14.2861   24.4796  H     
50   H        23.8153   16.3344   25.1096  H     
51   H        23.8929   18.7388   25.2851  H     
52   H        23.4390   19.2717   23.6949  H     
53   H        20.2756   18.4739   26.5295  H     
54   H        20.5703   19.0445   28.1667  H     
55   H        22.1849   20.7891   27.2004  H     
56   H        22.6610   19.1109   27.1651  H     
57   H        19.0245   20.2620   24.8561  H     
58   H        18.4246   21.7236   25.6328  H     
59   H        18.4963   19.9721   27.2578  H     
60   H        19.6447   21.2350   27.6997  H     
61   H        20.9286   22.4492   25.8640  H     
62   H        19.1713   22.5134   23.6328  H     
63   H        18.8828   24.4683   22.5958  H     
64   H        21.3302   26.0587   22.2347  H     
65   H        20.9912   28.3713   23.1744  H     
66   H        19.4749   29.0712   22.6014  H     
67   H        20.6482   28.4391   21.4335  H     
68   H        21.3361   23.8612   20.8726  H     
69   H        20.0170   22.7442   21.1415  H     
70   H        16.4861   24.2305   18.4565  H     
71   H        17.6871   23.3567   20.3095  H     
72   H        21.0770   25.5863   19.2200  H     
73   H        19.9092   27.7800   17.4687  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   40 1
    41   36   37 1
    42   37   38 2
    43   37   39 1
    44   40   41 2
    45    2   42 1
    46    3   43 1
    47    4   44 1
    48    5   45 1
    49    6   46 1
    50    9   47 1
    51   10   48 1
    52   11   49 1
    53   12   50 1
    54   13   51 1
    55   13   52 1
    56   14   53 1
    57   14   54 1
    58   15   55 1
    59   15   56 1
    60   17   57 1
    61   17   58 1
    62   18   59 1
    63   18   60 1
    64   21   61 1
    65   22   62 1
    66   25   63 1
    67   26   64 1
    68   28   65 1
    69   28   66 1
    70   28   67 1
    71   30   68 1
    72   30   69 1
    73   32   70 1
    74   33   71 1
    75   34   72 1
    76   40   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8025
  Crash		| -1.6388
  Polar		| 5.3199
  FragIndex	| 1
  FragRMSD	| 0.410