@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5493   16.9534   -4.8836  C     
2    C        17.5657   15.9815   -5.5050  C     
3    O        15.2165   16.6069   -5.2788  O     
4    C        14.4894   17.1252   -6.3041  C     
5    O        14.9960   18.0350   -7.1789  O     
6    C        13.0765   16.7454   -6.4428  C     
7    C        12.0355   17.8351   -6.2990  C     
8    C        10.6691   17.6606   -6.6991  C     
9    O        10.4153   16.9966   -7.6931  O     
10   N         9.7509   18.3028   -5.9976  N     
11   C         8.3315   18.2566   -6.2082  C     
12   C         7.8716   18.9522   -7.4149  C     
13   O         8.6508   19.5978   -8.1107  O     
14   C         7.6081   18.8082   -4.9318  C     
15   C         8.0468   18.1006   -3.6187  C     
16   O        12.3653   16.9328   -5.2194  O     
17   N         6.5933   18.8483   -7.7421  N     
18   C         5.8981   19.4283   -8.8556  C     
19   C         4.6006   19.9868   -8.3728  C     
20   O         3.8922   19.3386   -7.4154  O     
21   O         3.9365   20.9057   -9.1121  O     
22   C         5.7695   18.3568  -10.0073  C     
23   C         4.8366   17.1590   -9.6162  C     
24   O         7.8117   20.2187   -4.8016  O     
25   C         5.4178   19.0241  -11.3773  C     
26   C         4.0316   18.6752  -11.9796  C     
27   H        16.5948   16.8852   -3.7980  H     
28   H        16.8018   17.9767   -5.1690  H     
29   H        17.3502   14.9583   -5.1980  H     
30   H        18.5793   16.2379   -5.1823  H     
31   H        17.5248   16.0418   -6.5939  H     
32   H        12.8155   15.8013   -6.9247  H     
33   H        12.3691   18.8479   -6.0565  H     
34   H        10.0698   18.8063   -5.2318  H     
35   H         8.0598   17.2017   -6.3085  H     
36   H         6.5296   18.6500   -5.0340  H     
37   H         7.8947   17.0242   -3.7087  H     
38   H         7.4526   18.4712   -2.7803  H     
39   H         9.0993   18.2973   -3.4106  H     
40   H         6.0582   18.2718   -7.1687  H     
41   H         6.4771   20.2800   -9.2500  H     
42   H         6.7768   17.9268  -10.1357  H     
43   H         5.0899   16.7532   -8.6383  H     
44   H         4.9411   16.3446  -10.3399  H     
45   H         3.7924   17.4833   -9.6049  H     
46   H         8.5535   20.4256   -5.4009  H     
47   H         5.4340   20.1140  -11.2817  H     
48   H         6.1892   18.7308  -12.1090  H     
49   H         3.9200   17.5869  -12.0779  H     
50   H         3.9464   19.1437  -12.9627  H     
51   H         3.2350   19.0752  -11.3389  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   16 1
     8    7    8 1
     9    7   16 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9582
  Crash		| -1.1911
  Polar		| 5.4268
  FragIndex	| 1
  FragRMSD	| 1.043