@<TRIPOS>MOLECULE
BindingDB_19800
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.9826   39.1015   72.6880  C     
2    O        15.5787   39.8598   73.6326  O     
3    N        13.6302   39.0567   72.6865  N     
4    C        12.7882   38.3724   71.7452  C     
5    C        11.6825   37.5409   72.4779  C     
6    C        12.0941   36.6660   73.7135  C     
7    C        13.3371   35.7659   73.4487  C     
8    C        12.2588   37.4750   75.0321  C     
9    C        12.2082   39.3216   70.7911  C     
10   O        12.3118   40.5281   70.9930  O     
11   N        11.6119   38.8762   69.6922  N     
12   O        15.7259   38.4821   71.7372  O     
13   C        17.1516   38.5038   71.5802  C     
14   C        17.8122   37.3703   72.2756  C     
15   C        19.0029   37.5627   73.0090  C     
16   C        19.6388   36.4811   73.6445  C     
17   C        19.0968   35.1881   73.5526  C     
18   C        17.9241   34.9714   72.8070  C     
19   C        17.2906   36.0544   72.1649  C     
20   C        11.0586   39.6569   68.6178  C     
21   C        11.6802   39.3433   67.3588  C     
22   C         9.5758   39.3078   68.3666  C     
23   C         9.3929   39.4693   66.8487  C     
24   C        10.7742   39.1244   66.2639  C     
25   O        12.8826   39.4702   67.1832  O     
26   H        13.1744   39.5913   73.3596  H     
27   H        13.3914   37.6690   71.1672  H     
28   H        10.8794   38.2109   72.7891  H     
29   H        11.2506   36.8639   71.7344  H     
30   H        11.2521   35.9854   73.8915  H     
31   H        13.1737   35.1482   72.5628  H     
32   H        13.5211   35.1043   74.2970  H     
33   H        14.2281   36.3706   73.2912  H     
34   H        13.1415   38.1125   75.0155  H     
35   H        12.3506   36.7923   75.8817  H     
36   H        11.3796   38.1027   75.2020  H     
37   H        11.5668   37.9128   69.5862  H     
38   H        17.3619   38.4078   70.5126  H     
39   H        17.5481   39.4755   71.8882  H     
40   H        19.4239   38.4917   73.0742  H     
41   H        20.4988   36.6370   74.1772  H     
42   H        19.5547   34.4044   74.0255  H     
43   H        17.5294   34.0322   72.7350  H     
44   H        16.4478   35.8827   71.6161  H     
45   H        11.1592   40.7369   68.7810  H     
46   H         9.3714   38.2675   68.6432  H     
47   H         8.9081   39.9679   68.9279  H     
48   H         8.6109   38.8104   66.4630  H     
49   H         9.1353   40.5063   66.6153  H     
50   H        11.0027   39.7770   65.4157  H     
51   H        10.8244   38.0794   65.9481  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 am
     3    1   12 1
     4    3    4 1
     5    4    5 1
     6    4    9 1
     7    5    6 1
     8    6    7 1
     9    6    8 1
    10    9   10 2
    11    9   11 am
    12   11   20 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   14   19 2
    17   15   16 2
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   20   21 1
    22   20   22 1
    23   21   24 1
    24   21   25 2
    25   22   23 1
    26   23   24 1
    27    3   26 1
    28    4   27 1
    29    5   28 1
    30    5   29 1
    31    6   30 1
    32    7   31 1
    33    7   32 1
    34    7   33 1
    35    8   34 1
    36    8   35 1
    37    8   36 1
    38   11   37 1
    39   13   38 1
    40   13   39 1
    41   15   40 1
    42   16   41 1
    43   17   42 1
    44   18   43 1
    45   19   44 1
    46   20   45 1
    47   22   46 1
    48   22   47 1
    49   23   48 1
    50   23   49 1
    51   24   50 1
    52   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9606
  Crash		| -0.8971
  Polar		| 2.6042
  FragIndex	| 1
  FragRMSD	| 1.353