@<TRIPOS>MOLECULE
BindingDB_50292719
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.9344   -4.0010   13.4347  C     
2    C        36.5643   -2.8726   13.0520  C     
3    N        36.1045   -2.1029   12.0162  N     
4    C        34.9833   -2.5105   11.3813  C     
5    N        34.3668   -3.6340   11.7498  N     
6    C        34.8177   -4.3788   12.7538  C     
7    O        34.2233   -5.4077   13.0408  O     
8    O        34.4686   -1.8951   10.4603  O     
9    C        36.8256   -0.8960   11.6193  C     
10   O        38.2372   -1.1581   11.5743  O     
11   C        38.9517   -0.1761   12.3363  C     
12   C        37.9328    0.3944   13.3440  C     
13   C        36.6108    0.3118   12.5668  C     
14   O        36.4063    1.5173   11.8254  O     
15   O        38.2826    1.7201   13.7566  O     
16   C        40.2311   -0.7653   12.9989  C     
17   N        41.0533   -1.5903   12.0452  N     
18   C        40.6670   -3.0450   12.0423  C     
19   C        41.4055   -3.8322   10.9317  C     
20   C        42.9374   -3.6783   11.0845  C     
21   C        43.3388   -2.1840   11.1380  C     
22   C        42.5341   -1.4214   12.2245  C     
23   H        36.2913   -4.5536   14.1817  H     
24   H        37.3947   -2.6242   13.5337  H     
25   H        33.5787   -3.9211   11.2634  H     
26   H        36.5590   -0.6030   10.5997  H     
27   H        39.2538    0.6163   11.6428  H     
28   H        37.8611   -0.2475   14.2291  H     
29   H        35.7631    0.1631   13.2421  H     
30   H        35.4867    1.8069   12.0067  H     
31   H        37.5706    2.0077   14.3685  H     
32   H        40.8020    0.0886   13.3779  H     
33   H        39.9591   -1.3668   13.8733  H     
34   H        40.8534   -1.2372   11.1048  H     
35   H        40.8898   -3.4987   13.0146  H     
36   H        39.5965   -3.1690   11.8671  H     
37   H        41.1305   -4.8898   10.9877  H     
38   H        41.0930   -3.4521    9.9555  H     
39   H        43.2617   -4.1775   12.0027  H     
40   H        43.4362   -4.1632   10.2437  H     
41   H        44.4085   -2.1027   11.3464  H     
42   H        43.1479   -1.7240   10.1656  H     
43   H        42.7977   -0.3626   12.1434  H     
44   H        42.8386   -1.7702   13.2167  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    5   25 1
    28    9   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6382
  Crash		| -0.8793
  Polar		| 4.3220
  FragIndex	| 1
  FragRMSD	| 0.684