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


@<TRIPOS>ATOM
1    C         7.2675   33.8224   60.4638  C     
2    C         8.2574   33.4620   58.4741  C     
3    C         9.1194   34.4220   59.1155  C     
4    N         7.2395   33.0666   59.2415  N     
5    C         6.0910   32.2225   58.8907  C     
6    C         6.8377   29.8063   59.5290  C     
7    C         6.6644   29.3319   58.0650  C     
8    C         6.8770   30.5116   57.0839  C     
9    C         5.9539   31.7170   57.4160  C     
10   C         5.8895   30.9921   59.8428  C     
11   O         8.4224   33.1981   57.2911  O     
12   C         8.7423   34.2995   60.6106  C     
13   C         9.6385   33.4056   61.3628  C     
14   O         9.2095   32.3390   61.7863  O     
15   N        10.9035   33.7541   61.5817  N     
16   C        11.9101   33.0647   62.2226  C     
17   C        14.2521   33.0605   63.0227  C     
18   C        13.1801   33.6788   62.3364  C     
19   C        11.7518   31.7641   62.7678  C     
20   C        12.8144   31.1235   63.4294  C     
21   C        14.0537   31.7648   63.5511  C     
22   N        15.4604   33.6993   63.1516  N     
23   C        16.1734   33.8377   64.2644  C     
24   C        17.5117   34.3723   64.1962  C     
25   O        15.7340   33.5044   65.3603  O     
26   H         6.6052   34.6842   60.3463  H     
27   H         6.9287   33.2784   61.3472  H     
28   H        10.1749   34.2079   58.9175  H     
29   H         8.8865   35.4267   58.7399  H     
30   H         5.2163   32.8679   59.0451  H     
31   H         6.6205   28.9756   60.2053  H     
32   H         7.8759   30.1049   59.7004  H     
33   H         7.3853   28.5376   57.8472  H     
34   H         5.6618   28.9194   57.9323  H     
35   H         7.9257   30.8080   57.1397  H     
36   H         6.6802   30.1727   56.0625  H     
37   H         4.9175   31.3926   57.2485  H     
38   H         6.1464   32.5349   56.7226  H     
39   H         6.0077   31.2732   60.8873  H     
40   H         4.8604   30.6340   59.7437  H     
41   H         8.7570   35.2846   61.0919  H     
42   H        11.1562   34.6307   61.2458  H     
43   H        13.3282   34.6046   61.9234  H     
44   H        10.8638   31.2645   62.6816  H     
45   H        12.6781   30.1849   63.8232  H     
46   H        14.8128   31.2765   64.0256  H     
47   H        15.8254   34.0994   62.3452  H     
48   H        18.1295   33.7160   63.5826  H     
49   H        17.9699   34.4414   65.1863  H     
50   H        17.5030   35.3681   63.7531  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	| 6.1170
  Crash		| -1.4619
  Polar		| 1.3844
  FragIndex	| 1
  FragRMSD	| 1.056