@<TRIPOS>MOLECULE
BindingDB_31094
 73 81 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O         3.4454    5.8458   14.6790  O     
2    O         6.0910    3.2882   14.9536  O     
3    O         3.8202    9.8896   20.4175  O     
4    O         4.3929   -0.1622   13.2912  O     
5    N         5.6717    6.0576   15.5600  N     
6    N         2.8364    6.0111   16.9416  N     
7    N         3.6830    1.6522   14.4218  N     
8    N         5.9679    9.8646   19.8923  N     
9    C         4.8326    5.4784   14.5141  C     
10   C         4.9371    3.9034   14.3423  C     
11   C         2.6758    5.2516   15.7307  C     
12   C         3.5792    3.1239   14.5616  C     
13   C         2.8982    3.7122   15.8521  C     
14   C         5.2197    6.6934   16.6734  C     
15   C         3.9433    6.7090   17.2797  C     
16   C         6.2575    7.4278   17.2610  C     
17   C         3.6850    7.5251   18.3977  C     
18   C         7.0348    6.2361   15.5333  C     
19   C         5.1194    6.2410   13.1753  C     
20   C         1.8615    6.3355   17.8329  C     
21   C         7.4061    7.1241   16.5507  C     
22   C         5.9965    8.2901   18.3458  C     
23   C         4.7078    8.3742   18.8918  C     
24   C         2.3544    7.2792   18.7476  C     
25   C         6.8867    9.2431   19.0111  C     
26   C         8.0407    5.6613   14.7244  C     
27   C         4.7519    9.3725   19.8238  C     
28   C         0.5370    5.8607   17.9357  C     
29   C         8.7472    7.4972   16.7525  C     
30   C         3.1526    0.8180   15.4930  C     
31   C         1.5316    7.7543   19.7892  C     
32   C         4.1807    1.0461   13.3128  C     
33   C         6.1718    3.0988   16.3702  C     
34   C         9.3908    6.0094   14.9283  C     
35   C         9.7421    6.9356   15.9302  C     
36   C        -0.2919    6.3502   18.9630  C     
37   C         0.2030    7.2947   19.8839  C     
38   C         4.4893    1.6472   12.0962  C     
39   C         3.4711    2.0670   11.2074  C     
40   C         5.8422    1.8353   11.7165  C     
41   C         3.7977    2.6940    9.9906  C     
42   C         6.1665    2.4707   10.5036  C     
43   C         5.1437    2.9061    9.6440  C     
44   H         6.2014   10.6344   20.4322  H     
45   H         5.1768    3.7633   13.2943  H     
46   H         1.6532    5.4050   15.3783  H     
47   H         2.9067    3.4323   13.7560  H     
48   H         3.4960    3.4796   16.7382  H     
49   H         1.9196    3.2496   16.0011  H     
50   H         4.4000    5.9529   12.4041  H     
51   H         6.1110    6.0204   12.7865  H     
52   H         5.0449    7.3223   13.3224  H     
53   H         7.2923    9.9711   18.3051  H     
54   H         7.6846    8.7424   19.5630  H     
55   H         7.8081    4.9777   14.0056  H     
56   H         0.1760    5.1658   17.2798  H     
57   H         9.0034    8.1425   17.4978  H     
58   H         2.0746    0.9662   15.5710  H     
59   H         3.6114    1.0796   16.4426  H     
60   H         3.3021   -0.2558   15.3679  H     
61   H         1.8791    8.4093   20.4852  H     
62   H         7.2263    3.0081   16.6301  H     
63   H         5.6713    2.1802   16.6635  H     
64   H         5.7408    3.9339   16.9226  H     
65   H        10.1203    5.5815   14.3545  H     
66   H        10.7238    7.1816   16.0768  H     
67   H        -1.2540    6.0141   19.0450  H     
68   H        -0.4023    7.6379   20.6332  H     
69   H         2.4843    1.9111   11.4329  H     
70   H         6.6021    1.5361   12.3346  H     
71   H         3.0551    2.9936    9.3566  H     
72   H         7.1458    2.6194   10.2496  H     
73   H         5.3802    3.3688    8.7629  H     
@<TRIPOS>BOND
     1    1    9 1
     2    1   11 1
     3   10    2 1
     4    2   33 1
     5    3   27 2
     6    4   32 2
     7    5    9 1
     8    5   14 1
     9    5   18 1
    10    6   11 1
    11    6   15 1
    12    6   20 1
    13   12    7 1
    14    7   30 1
    15    7   32 am
    16    8   25 1
    17    8   27 1
    18    9   10 1
    19    9   19 1
    20   10   12 1
    21   11   13 1
    22   12   13 1
    23   14   15 2
    24   14   16 1
    25   15   17 1
    26   16   21 1
    27   16   22 2
    28   17   23 2
    29   17   24 1
    30   18   21 1
    31   18   26 2
    32   20   24 1
    33   20   28 2
    34   21   29 2
    35   22   23 1
    36   22   25 1
    37   23   27 1
    38   24   31 2
    39   26   34 1
    40   28   36 1
    41   29   35 1
    42   31   37 1
    43   32   38 1
    44   34   35 2
    45   36   37 2
    46   38   39 2
    47   38   40 1
    48   39   41 1
    49   40   42 2
    50   41   43 2
    51   42   43 1
    52    8   44 1
    53   10   45 1
    54   11   46 1
    55   12   47 1
    56   13   48 1
    57   13   49 1
    58   19   50 1
    59   19   51 1
    60   19   52 1
    61   25   53 1
    62   25   54 1
    63   26   55 1
    64   28   56 1
    65   29   57 1
    66   30   58 1
    67   30   59 1
    68   30   60 1
    69   31   61 1
    70   33   62 1
    71   33   63 1
    72   33   64 1
    73   34   65 1
    74   35   66 1
    75   36   67 1
    76   37   68 1
    77   39   69 1
    78   40   70 1
    79   41   71 1
    80   42   72 1
    81   43   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7208
  Crash		| -1.9822
  Polar		| 1.8476
  FragIndex	| 1
  FragRMSD	| 0.918