@<TRIPOS>MOLECULE
BindingDB_15660
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.8125   33.4740   60.6156  C     
2    C         8.6533   33.1129   58.5603  C     
3    C         9.1991   34.3914   58.8685  C     
4    N         7.8755   32.5732   59.5021  N     
5    C         7.2214   31.2565   59.5736  C     
6    C         6.5476   30.5900   57.1329  C     
7    C         5.0542   30.8482   57.4639  C     
8    C         4.8887   31.8428   58.6437  C     
9    C         5.6861   31.3559   59.8835  C     
10   C         7.3754   30.2278   58.4037  C     
11   O         8.9863   32.6155   57.4964  O     
12   C         8.8990   34.5571   60.3727  C     
13   C        10.0943   34.4033   61.2049  C     
14   O        10.4708   35.3640   61.8823  O     
15   N        10.7198   33.2392   61.2623  N     
16   C        11.7350   32.8864   62.1005  C     
17   C        14.0146   33.0897   63.0126  C     
18   C        12.9861   33.5433   62.1441  C     
19   C        11.5204   31.7492   62.9088  C     
20   C        12.5262   31.2807   63.7561  C     
21   C        13.7695   31.9426   63.8009  C     
22   N        15.2407   33.7067   62.9704  N     
23   C        16.0722   33.9308   63.9905  C     
24   C        17.4139   34.3988   63.7176  C     
25   O        15.7450   33.7706   65.1542  O     
26   H         6.8195   33.9405   60.6380  H     
27   H         7.9768   32.9449   61.5661  H     
28   H        10.2708   34.4163   58.6317  H     
29   H         8.6860   35.1496   58.2729  H     
30   H         7.6839   30.7600   60.4357  H     
31   H         6.6299   29.7728   56.4122  H     
32   H         6.9385   31.4863   56.6439  H     
33   H         4.5521   31.2487   56.5764  H     
34   H         4.5734   29.9000   57.7232  H     
35   H         5.2442   32.8308   58.3422  H     
36   H         3.8296   31.9328   58.9035  H     
37   H         5.3177   30.3671   60.1744  H     
38   H         5.4900   32.0110   60.7309  H     
39   H         8.4256   30.0801   58.1498  H     
40   H         7.0336   29.2457   58.7562  H     
41   H         8.4510   35.5440   60.5450  H     
42   H        10.2831   32.5035   60.8013  H     
43   H        13.1605   34.3444   61.5288  H     
44   H        10.6208   31.2636   62.8882  H     
45   H        12.3689   30.4575   64.3381  H     
46   H        14.4939   31.5446   64.3910  H     
47   H        15.5351   34.0194   62.0985  H     
48   H        17.9286   33.6792   63.0804  H     
49   H        17.9836   34.5069   64.6446  H     
50   H        17.3877   35.3626   63.2116  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   17   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 am
    26   23   24 1
    27   23   25 2
    28    1   26 1
    29    1   27 1
    30    3   28 1
    31    3   29 1
    32    5   30 1
    33    6   31 1
    34    6   32 1
    35    7   33 1
    36    7   34 1
    37    8   35 1
    38    8   36 1
    39    9   37 1
    40    9   38 1
    41   10   39 1
    42   10   40 1
    43   12   41 1
    44   15   42 1
    45   18   43 1
    46   19   44 1
    47   20   45 1
    48   21   46 1
    49   22   47 1
    50   24   48 1
    51   24   49 1
    52   24   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7623
  Crash		| -0.9102
  Polar		| 1.5652
  FragIndex	| 1
  FragRMSD	| 1.292