@<TRIPOS>MOLECULE
BindingDB_14771
 41 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.9406    1.6884  -11.7234  C     
2    C         0.6205    2.2869  -13.1059  C     
3    C         0.9556    1.1902  -14.1306  C     
4    C         0.8578   -0.1527  -13.3767  C     
5    C         0.6676    0.1809  -11.8814  C     
6    O         0.1020    2.2985  -10.7208  O     
7    C         0.2262    1.8317   -9.4361  C     
8    C         1.4678    1.8837   -8.7751  C     
9    C         1.6019    1.5079   -7.4169  C     
10   C         0.4383    1.0983   -6.7244  C     
11   C        -0.8062    1.0382   -7.3741  C     
12   C        -0.9252    1.4100   -8.7301  C     
13   O        -2.1300    1.2911   -9.3682  O     
14   C        -2.9400    2.4797   -9.3602  C     
15   C         2.8451    1.6039   -6.7987  C     
16   C         2.9401    2.0343   -5.4201  C     
17   N         3.9523    1.4912   -7.4599  N     
18   O         4.2411    0.9868   -8.6035  O     
19   C         4.3127   -0.3401   -8.8849  C     
20   O         4.2132   -1.2844   -7.9219  O     
21   N         4.6079   -0.7298  -10.1355  N     
22   H         2.0041    1.8428  -11.5132  H     
23   H        -0.4372    2.5375  -13.1710  H     
24   H         1.2096    3.1902  -13.2849  H     
25   H         0.2614    1.2250  -14.9760  H     
26   H         1.9723    1.3355  -14.5094  H     
27   H         0.0111   -0.7442  -13.7458  H     
28   H         1.7771   -0.7309  -13.5285  H     
29   H         1.3551   -0.4047  -11.2579  H     
30   H        -0.3591   -0.0487  -11.5836  H     
31   H         2.2871    2.2135   -9.2951  H     
32   H         0.4961    0.8311   -5.7389  H     
33   H        -1.6422    0.7203   -6.8663  H     
34   H        -3.2271    2.7696   -8.3451  H     
35   H        -3.8485    2.2533   -9.9216  H     
36   H        -2.4321    3.3178   -9.8471  H     
37   H         2.5457    3.0516   -5.3315  H     
38   H         3.9725    2.0332   -5.0475  H     
39   H         2.3564    1.3686   -4.7785  H     
40   H         4.7679   -1.6706  -10.3240  H     
41   H         4.7122   -0.0637  -10.8368  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 1
     6    4    5 1
     7    6    7 1
     8    7    8 1
     9    7   12 2
    10    8    9 2
    11    9   10 1
    12    9   15 1
    13   10   11 2
    14   11   12 1
    15   12   13 1
    16   13   14 1
    17   15   16 1
    18   15   17 2
    19   17   18 1
    20   18   19 1
    21   19   20 2
    22   19   21 am
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    3   26 1
    28    4   27 1
    29    4   28 1
    30    5   29 1
    31    5   30 1
    32    8   31 1
    33   10   32 1
    34   11   33 1
    35   14   34 1
    36   14   35 1
    37   14   36 1
    38   16   37 1
    39   16   38 1
    40   16   39 1
    41   21   40 1
    42   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2616
  Crash		| -1.0481
  Polar		| 0.0011
  FragIndex	| 1
  FragRMSD	| 0.537