@<TRIPOS>MOLECULE
BindingDB_14785
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5873   45.1152   10.8247  C     
2    C        14.2585   45.3193   10.4236  C     
3    C        13.4979   45.0171   11.5537  C     
4    N        14.3448   44.7366   12.5547  N     
5    N        15.5781   44.8162   12.1513  N     
6    C        13.7775   45.7980    9.1792  C     
7    O        14.6373   46.2672    8.2447  O     
8    O        12.4416   45.9457    8.9673  O     
9    C        11.7660   46.5313    7.8439  C     
10   C        12.0177   45.7845    6.5213  C     
11   C        12.0343   45.0301   11.7323  C     
12   C        16.7664   45.1726    9.9267  C     
13   C        16.6228   44.7036   13.0435  C     
14   C        17.7817   45.5095   12.9166  C     
15   C        18.8262   45.4231   13.8515  C     
16   C        18.7269   44.5409   14.9418  C     
17   C        17.5678   43.7651   15.1083  C     
18   C        16.5230   43.8541   14.1751  C     
19   H        10.6935   46.5111    8.0551  H     
20   H        12.0611   47.5788    7.7398  H     
21   H        13.0717   45.8572    6.2407  H     
22   H        11.4108   46.2239    5.7252  H     
23   H        11.7529   44.7294    6.6265  H     
24   H        11.6546   46.0444   11.5829  H     
25   H        11.7660   44.7006   12.7404  H     
26   H        11.5670   44.3565   11.0102  H     
27   H        16.5973   44.5401    9.0571  H     
28   H        17.6707   44.8136   10.4154  H     
29   H        16.9260   46.1970    9.5975  H     
30   H        17.8560   46.1909   12.1519  H     
31   H        19.6537   46.0190   13.7500  H     
32   H        19.4855   44.4803   15.6230  H     
33   H        17.4864   43.1349   15.9086  H     
34   H        15.6831   43.2886   14.3171  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   12 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   11 1
     8    4    5 1
     9    5   13 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   13   14 2
    15   13   18 1
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   17   18 2
    20    9   19 1
    21    9   20 1
    22   10   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   12   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3921
  Crash		| -0.6588
  Polar		| 1.1519
  FragIndex	| 1
  FragRMSD	| 0.142