@<TRIPOS>MOLECULE
BindingDB_15672
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0801   52.0039   58.6319  C     
2    C        41.7992   50.5853   58.9942  C     
3    C        40.7747   49.9836   59.7826  C     
4    N        41.4559   51.7035   58.3586  N     
5    C        42.2242   52.4904   57.3667  C     
6    C        44.3560   53.2193   58.6581  C     
7    C        43.8681   54.6933   58.7060  C     
8    C        42.3230   54.7899   58.5608  C     
9    C        41.8232   54.0077   57.3147  C     
10   C        43.7898   52.4507   57.4205  C     
11   O        42.8933   50.0241   58.9532  O     
12   C        39.5372   50.8716   59.5404  C     
13   C        38.8600   51.3738   60.7383  C     
14   O        39.4645   52.1681   61.4597  O     
15   N        37.6030   50.9928   60.9801  N     
16   C        36.6494   51.4129   61.8790  C     
17   C        34.5403   52.3116   63.5495  C     
18   C        35.7170   53.0729   63.4689  C     
19   C        36.7579   52.6171   62.6246  C     
20   C        35.4392   50.6612   61.9699  C     
21   C        34.3972   51.1246   62.8117  C     
22   C        35.2159   49.4189   61.1793  C     
23   C        35.8262   54.3483   64.2210  C     
24   H        39.9927   52.9865   59.1297  H     
25   H        39.5124   52.0315   57.6855  H     
26   H        40.5904   48.9550   59.4393  H     
27   H        41.0960   49.9625   60.8277  H     
28   H        41.9442   52.0738   56.3898  H     
29   H        45.4514   53.2102   58.6096  H     
30   H        44.0582   52.7206   59.5954  H     
31   H        44.1731   55.1499   59.6527  H     
32   H        44.3386   55.2490   57.8885  H     
33   H        41.8487   54.3938   59.4641  H     
34   H        42.0403   55.8457   58.4574  H     
35   H        42.2516   54.4665   56.4122  H     
36   H        40.7416   54.1363   57.2229  H     
37   H        44.1602   51.4258   57.4139  H     
38   H        44.1933   52.9340   56.5074  H     
39   H        38.8267   50.2813   58.9408  H     
40   H        37.2971   50.2946   60.3775  H     
41   H        33.7719   52.6150   64.1501  H     
42   H        37.5765   53.2094   62.5396  H     
43   H        33.5208   50.6080   62.8970  H     
44   H        35.2406   49.6542   60.1107  H     
45   H        34.2564   48.9409   61.3979  H     
46   H        36.0029   48.6954   61.4066  H     
47   H        35.1120   55.0739   63.8231  H     
48   H        36.8239   54.7852   64.1634  H     
49   H        35.5913   54.1803   65.2748  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   23 1
    24   20   21 2
    25   20   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   19   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4509
  Crash		| -1.8706
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.232