@<TRIPOS>MOLECULE
BindingDB_50337280
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.6165  -23.9419   63.0873  C     
2    C        25.7036  -23.5283   64.4355  C     
3    C        25.6139  -24.5141   65.4446  C     
4    C        25.4511  -25.8704   65.1152  C     
5    C        25.3753  -26.2862   63.7708  C     
6    C        25.4580  -25.3021   62.7578  C     
7    N        25.1526  -27.6109   63.5766  N     
8    C        25.0021  -28.3194   62.4235  C     
9    C        23.8172  -29.0707   62.2741  C     
10   C        23.6217  -29.8851   61.1440  C     
11   C        24.6158  -29.9673   60.1564  C     
12   C        25.8092  -29.2405   60.3045  C     
13   C        26.0054  -28.4266   61.4363  C     
14   C        25.8930  -22.1655   64.7719  C     
15   O        25.6975  -21.1646   63.8811  O     
16   O        26.5026  -21.8326   65.9226  O     
17   H        25.6794  -23.2585   62.3282  H     
18   H        25.6432  -24.2551   66.4331  H     
19   H        25.3764  -26.5549   65.8725  H     
20   H        25.3823  -25.5617   61.7729  H     
21   H        24.9688  -28.1098   64.3886  H     
22   H        23.0840  -29.0298   62.9876  H     
23   H        22.7643  -30.4293   61.0470  H     
24   H        24.4769  -30.5607   59.3359  H     
25   H        26.5378  -29.3081   59.5921  H     
26   H        26.8892  -27.9272   61.5483  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   14 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 1
    17   14   16 2
    18    1   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	| 1.5028
  Crash		| -0.9002
  Polar		| 0.0003
  FragIndex	| 1
  FragRMSD	| 0.987