@<TRIPOS>MOLECULE
BindingDB_16506
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.1409   16.1179   -5.5903  C     
2    C        14.3259   17.5389   -6.5587  C     
3    O        15.1736   18.3714   -7.2148  O     
4    C        12.8952   17.8461   -6.6213  C     
5    C        11.9384   17.1541   -7.5829  C     
6    C        10.5125   17.2466   -7.3425  C     
7    O         9.9366   16.1896   -7.1214  O     
8    N         9.8488   18.3975   -7.4105  N     
9    C         8.4266   18.5715   -7.3049  C     
10   C         7.6712   17.9068   -8.3712  C     
11   O         8.0145   16.7503   -8.5999  O     
12   O        12.6109   18.3597   -7.9333  O     
13   C         5.6212   18.9086  -11.1977  C     
14   C         6.2602   17.8053  -10.3471  C     
15   C         5.9804   19.6884   -8.8940  C     
16   C         5.1234   19.9264  -10.1709  C     
17   N         6.6844   18.4410   -9.1283  N     
18   C         5.1602   19.7079   -7.6494  C     
19   O         5.7185   19.4618   -6.4416  O     
20   O         3.9102   20.2276   -7.6263  O     
21   C        16.2830   15.3998   -4.2395  C     
22   O        14.7737   16.5114   -5.7995  O     
23   H        16.8285   16.9722   -5.6028  H     
24   H        16.4434   15.4387   -6.3966  H     
25   H        12.4770   18.5112   -5.8576  H     
26   H        12.3409   16.2789   -8.1121  H     
27   H        10.3870   19.1942   -7.5565  H     
28   H         8.0777   18.2211   -6.3326  H     
29   H         8.2531   19.6494   -7.3393  H     
30   H         6.3681   19.3757  -11.8490  H     
31   H         4.8116   18.5155  -11.8268  H     
32   H         5.5415   17.0127  -10.1112  H     
33   H         7.0971   17.3758  -10.9074  H     
34   H         6.7171   20.5004   -8.8359  H     
35   H         5.2443   20.9427  -10.5503  H     
36   H         4.0580   19.7375  -10.0018  H     
37   H        16.0029   16.0788   -3.4267  H     
38   H        17.3130   15.0748   -4.1027  H     
39   H        15.6253   14.5235   -4.2100  H     
@<TRIPOS>BOND
     1    1   21 1
     2    1   22 1
     3    2    3 2
     4    4    2 1
     5    2   22 1
     6    4    5 1
     7    4   12 1
     8    5    6 1
     9    5   12 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14   10   11 2
    15   10   17 am
    16   13   14 1
    17   13   16 1
    18   14   17 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   18   19 2
    23   18   20 1
    24    1   23 1
    25    1   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    9   28 1
    30    9   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9981
  Crash		| -0.7217
  Polar		| 2.4876
  FragIndex	| 1
  FragRMSD	| 1.452