@<TRIPOS>MOLECULE
BindingDB_15701
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.9849   55.4920   60.1898  C     
2    C        44.0623   55.2886   59.3020  C     
3    C        44.1804   54.0385   58.6572  C     
4    C        43.2531   53.0092   58.9121  C     
5    C        42.1722   53.2140   59.7992  C     
6    C        42.0436   54.4732   60.4253  C     
7    C        39.8816   52.4747   60.2779  C     
8    C        41.5383   50.9243   60.1659  C     
9    C        40.4019   50.1275   60.5447  C     
10   C        39.2309   51.0705   60.2116  C     
11   N        41.2615   52.2136   60.0419  N     
12   O        42.6604   50.4408   60.0995  O     
13   C        38.0116   50.9027   61.0006  C     
14   O        37.0641   50.3429   60.4594  O     
15   N        37.8718   51.4599   62.2020  N     
16   C        36.6632   51.7120   62.7996  C     
17   C        35.6216   50.7538   62.9841  C     
18   C        34.3434   51.2061   63.4196  C     
19   C        34.1290   52.5679   63.7077  C     
20   C        35.1834   53.4869   63.6108  C     
21   C        36.4441   53.0582   63.1679  C     
22   Cl       33.0025   50.1781   63.5900  Cl    
23   C        35.8549   49.2972   62.7834  C     
24   C        45.0484   56.3728   59.0875  C     
25   H        42.8795   56.3848   60.6737  H     
26   H        44.9488   53.8625   58.0063  H     
27   H        43.3591   52.1121   58.4329  H     
28   H        41.2816   54.6467   61.0838  H     
29   H        39.4673   53.1326   59.5080  H     
30   H        39.7589   52.9440   61.2569  H     
31   H        40.3457   49.2045   59.9605  H     
32   H        40.4537   49.8878   61.6095  H     
33   H        38.9912   50.8896   59.1532  H     
34   H        38.6295   51.9709   62.5290  H     
35   H        33.2021   52.8994   63.9867  H     
36   H        35.0252   54.4728   63.8326  H     
37   H        37.1896   53.7530   63.0602  H     
38   H        36.8677   49.0645   62.4541  H     
39   H        35.1563   48.8988   62.0415  H     
40   H        35.7021   48.7801   63.7338  H     
41   H        44.5324   57.3068   58.8664  H     
42   H        45.7242   56.1570   58.2583  H     
43   H        45.6410   56.5029   59.9910  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   24 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   11 1
     9    7   10 1
    10    7   11 1
    11    8    9 1
    12    8   11 1
    13    8   12 2
    14    9   10 1
    15   10   13 1
    16   13   14 2
    17   13   15 am
    18   15   16 1
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   17   23 1
    23   18   19 2
    24   18   22 1
    25   19   20 1
    26   20   21 2
    27    1   25 1
    28    3   26 1
    29    4   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   15   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
    43   24   41 1
    44   24   42 1
    45   24   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2366
  Crash		| -1.9399
  Polar		| 0.7964
  FragIndex	| 1
  FragRMSD	| 1.322