@<TRIPOS>MOLECULE
BindingDB_25792
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.3440   48.4377   35.7641  C     
2    C        50.9599   47.1745   35.7452  C     
3    C        52.2363   46.9990   35.1767  C     
4    C        52.8728   48.1173   34.6058  C     
5    C        52.2560   49.3795   34.6231  C     
6    C        50.9873   49.5673   35.2151  C     
7    C        50.3527   50.8079   35.1866  C     
8    O        50.3440   51.3321   34.0804  O     
9    C        49.8855   50.9847   37.6113  C     
10   C        48.8755   52.5719   36.0528  C     
11   C        49.3205   53.7794   36.9225  C     
12   C        50.3931   52.1401   38.5163  C     
13   N        49.7422   51.4173   36.2267  N     
14   C        49.9683   54.5496   39.3203  C     
15   C        48.9633   55.6296   39.5357  C     
16   C        47.8392   55.4219   40.3829  C     
17   C        46.9030   56.4548   40.6062  C     
18   C        47.0709   57.7047   39.9741  C     
19   C        48.1637   57.9183   39.1112  C     
20   C        49.1052   56.8906   38.8971  C     
21   C        49.4570   53.3788   38.4233  C     
22   C        52.8587   45.6590   35.1727  C     
23   H        49.4072   48.5198   36.1679  H     
24   H        50.4604   46.3739   36.1396  H     
25   H        53.7885   48.0196   34.1633  H     
26   H        52.7491   50.1696   34.2041  H     
27   H        50.5923   50.1668   37.7359  H     
28   H        48.9138   50.6360   37.9774  H     
29   H        47.8518   52.2910   36.3386  H     
30   H        48.8221   52.9147   35.0146  H     
31   H        50.2753   54.1609   36.5455  H     
32   H        48.5757   54.5717   36.8181  H     
33   H        50.4450   51.7857   39.5519  H     
34   H        51.4087   52.4115   38.2089  H     
35   H        50.8811   54.9647   38.8861  H     
36   H        50.2578   54.1540   40.3001  H     
37   H        47.7021   54.5144   40.8507  H     
38   H        46.0967   56.2963   41.2218  H     
39   H        46.3930   58.4514   40.1427  H     
40   H        48.2772   58.8217   38.6398  H     
41   H        49.8914   57.0630   38.2630  H     
42   H        48.4702   53.0759   38.7914  H     
43   H        52.9523   45.2904   36.2002  H     
44   H        53.8573   45.6698   34.7283  H     
45   H        52.2331   44.9699   34.6014  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   21 1
    16   12   21 1
    17   14   15 1
    18   14   21 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    1   23 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   14   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   22   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9496
  Crash		| -0.5838
  Polar		| 1.0592
  FragIndex	| 1
  FragRMSD	| 0.157