@<TRIPOS>MOLECULE
BindingDB_50337279
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.9501  -23.6260   63.9812  C     
2    C        25.8377  -24.1241   64.9638  C     
3    C        25.9998  -25.5095   65.1556  C     
4    C        25.2950  -26.4202   64.3474  C     
5    C        24.4078  -25.9372   63.3589  C     
6    C        24.1922  -24.5512   63.2250  C     
7    N        23.8018  -26.7626   62.4720  N     
8    C        24.2592  -27.9862   62.0871  C     
9    C        23.3527  -29.0605   61.9736  C     
10   C        23.8035  -30.3213   61.5448  C     
11   C        25.1521  -30.5032   61.1910  C     
12   C        26.0563  -29.4283   61.2850  C     
13   C        25.6230  -28.1748   61.7490  C     
14   C        24.8711  -22.2395   63.7098  C     
15   O        25.9084  -21.4170   63.9912  O     
16   O        23.8381  -21.7053   63.0167  O     
17   H        26.3810  -23.4826   65.5458  H     
18   H        26.6580  -25.8493   65.8577  H     
19   H        25.4477  -27.4457   64.4172  H     
20   H        23.5555  -24.2177   62.4952  H     
21   H        23.0504  -26.4007   61.9800  H     
22   H        22.3684  -28.9392   62.2250  H     
23   H        23.1492  -31.1051   61.4816  H     
24   H        25.4827  -31.4171   60.8735  H     
25   H        27.0364  -29.5532   61.0280  H     
26   H        26.3040  -27.3972   61.8918  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   14 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 2
    11    8   13 1
    12    9   10 1
    13   10   11 2
    14   11   12 1
    15   12   13 2
    16   14   15 2
    17   14   16 1
    18    2   17 1
    19    3   18 1
    20    4   19 1
    21    6   20 1
    22    7   21 1
    23    9   22 1
    24   10   23 1
    25   11   24 1
    26   12   25 1
    27   13   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4547
  Crash		| -0.5622
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.253