@<TRIPOS>MOLECULE
BindingDB_50132306
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        32.8341   23.9079   85.4290  N     
2    C        31.4557   24.0016   85.9029  C     
3    C        33.1976   23.0870   84.4131  C     
4    N        34.4793   22.9749   84.0751  N     
5    C        33.8283   24.5717   86.1016  C     
6    C        31.2928   23.2357   87.2325  C     
7    O        31.0222   25.3445   86.1845  O     
8    C        35.1386   24.4319   85.8019  C     
9    C        35.4373   23.6217   84.7330  C     
10   C        30.0061   23.8438   87.8051  C     
11   C        30.0306   25.2897   87.2200  C     
12   O        32.4067   22.4066   83.7688  O     
13   O        36.5849   23.4344   84.3518  O     
14   F        31.2254   21.8733   87.0659  F     
15   O        28.8435   23.1155   87.3764  O     
16   C        36.1786   25.0972   86.5853  C     
17   C        30.2780   26.3946   88.2946  C     
18   O        31.6666   26.7414   88.4267  O     
19   H        30.7517   23.5729   85.1607  H     
20   H        34.7154   22.3922   83.3310  H     
21   H        33.5779   25.1630   86.8649  H     
22   H        32.1176   23.4603   87.9165  H     
23   H        30.0289   23.8197   88.9107  H     
24   H        29.0559   25.4979   86.7626  H     
25   H        28.0997   23.5290   87.8750  H     
26   H        35.7773   25.6277   87.4513  H     
27   H        36.7002   25.8248   85.9578  H     
28   H        36.8949   24.3608   86.9540  H     
29   H        29.7167   27.3099   88.0395  H     
30   H        29.9213   26.0842   89.2822  H     
31   H        31.7333   27.5930   87.9253  H     
@<TRIPOS>BOND
     1    2    1 1
     2    1    3 1
     3    1    5 1
     4    2    6 1
     5    2    7 1
     6    3    4 1
     7    3   12 2
     8    4    9 1
     9    5    8 2
    10    6   10 1
    11    6   14 1
    12    7   11 1
    13    8    9 1
    14    8   16 1
    15    9   13 2
    16   10   11 1
    17   10   15 1
    18   11   17 1
    19   17   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    6   22 1
    24   10   23 1
    25   11   24 1
    26   15   25 1
    27   16   26 1
    28   16   27 1
    29   16   28 1
    30   17   29 1
    31   17   30 1
    32   18   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3344
  Crash		| -0.6912
  Polar		| 4.4192
  FragIndex	| 1
  FragRMSD	| 0.247