@<TRIPOS>MOLECULE
BindingDB_50292717
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -22.4594  -34.3196   16.0061  C     
2    C       -23.6895  -33.9857   16.4710  C     
3    N       -23.9290  -33.7715   17.8015  N     
4    C       -22.8937  -33.8970   18.6675  C     
5    N       -21.6842  -34.2314   18.2234  N     
6    C       -21.4493  -34.4505   16.9343  C     
7    O       -20.2976  -34.7409   16.6321  O     
8    O       -23.0050  -33.7215   19.8726  O     
9    C       -25.2776  -33.5205   18.2941  C     
10   O       -26.3321  -34.1185   17.5138  O     
11   C       -27.5595  -33.5560   17.9944  C     
12   C       -27.2253  -32.0527   18.1907  C     
13   C       -25.6764  -32.0257   18.2790  C     
14   O       -27.8322  -31.5249   19.3705  O     
15   C       -28.7911  -33.8969   17.0916  C     
16   N       -28.5752  -34.4287   15.7079  N     
17   C       -27.5725  -33.6710   14.8887  C     
18   C       -27.5658  -34.1488   13.4099  C     
19   C       -27.2814  -35.6715   13.3259  C     
20   C       -28.3139  -36.4609   14.1884  C     
21   C       -28.3956  -35.9219   15.6366  C     
22   C       -22.2577  -34.5154   14.5775  C     
23   H       -24.4263  -33.8626   15.8073  H     
24   H       -20.9549  -34.3576   18.8594  H     
25   H       -25.3640  -33.8921   19.3393  H     
26   H       -27.7591  -33.9915   18.9788  H     
27   H       -27.5479  -31.4562   17.3303  H     
28   H       -25.2986  -31.5035   19.1677  H     
29   H       -25.2534  -31.5365   17.3897  H     
30   H       -27.1458  -31.5727   20.0702  H     
31   H       -29.3877  -34.6489   17.6108  H     
32   H       -29.4397  -33.0308   17.0240  H     
33   H       -29.4821  -34.2804   15.2442  H     
34   H       -27.8358  -32.6102   14.8711  H     
35   H       -26.5621  -33.7693   15.3030  H     
36   H       -28.5434  -33.9407   12.9453  H     
37   H       -26.7913  -33.6099   12.8514  H     
38   H       -27.3590  -36.0063   12.2860  H     
39   H       -26.2536  -35.8724   13.6857  H     
40   H       -29.3099  -36.4036   13.7131  H     
41   H       -28.0135  -37.5178   14.2090  H     
42   H       -27.4917  -36.2367   16.1875  H     
43   H       -29.2622  -36.4118   16.1068  H     
44   H       -22.8928  -35.3296   14.2371  H     
45   H       -21.2223  -34.7541   14.3133  H     
46   H       -22.5437  -33.6146   14.0369  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    3    4 1
     6    9    3 1
     7    4    5 1
     8    4    8 2
     9    5    6 1
    10    6    7 2
    11    9   10 1
    12    9   13 1
    13   10   11 1
    14   11   12 1
    15   11   15 1
    16   12   13 1
    17   12   14 1
    18   15   16 1
    19   16   17 1
    20   16   21 1
    21   17   18 1
    22   18   19 1
    23   19   20 1
    24   20   21 1
    25    2   23 1
    26    5   24 1
    27    9   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   15   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
    44   21   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6966
  Crash		| -1.0084
  Polar		| 2.7464
  FragIndex	| 1
  FragRMSD	| 0.304