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


@<TRIPOS>ATOM
1    C        43.1783    2.3008   63.0115  C     
2    C        43.5970    1.5474   64.1203  C     
3    C        42.4151    1.0847   64.7097  C     
4    N        41.3822    1.5445   63.9790  N     
5    N        41.8247    2.2476   62.9897  N     
6    C        44.9164    1.3306   64.5855  C     
7    O        45.1348    0.7663   65.7974  O     
8    O        45.9857    1.6890   63.8284  O     
9    C        47.3615    1.5710   64.2094  C     
10   C        48.2247    2.5093   63.3526  C     
11   C        42.2229    0.2413   65.9054  C     
12   C        44.0404    3.0783   62.0875  C     
13   C        40.9634    2.8081   62.0961  C     
14   C        40.8425    2.2579   60.8028  C     
15   C        39.8982    2.7821   59.8953  C     
16   C        39.0805    3.8623   60.2741  C     
17   C        39.2094    4.4189   61.5552  C     
18   C        40.1417    3.8847   62.4685  C     
19   H        47.4670    1.8346   65.2641  H     
20   H        47.6909    0.5390   64.0603  H     
21   H        48.1288    2.2260   62.3042  H     
22   H        49.2737    2.4278   63.6509  H     
23   H        47.8976    3.5427   63.4813  H     
24   H        42.7213   -0.7211   65.7700  H     
25   H        41.1610    0.0596   66.0794  H     
26   H        42.6320    0.7374   66.7864  H     
27   H        44.6214    3.8053   62.6631  H     
28   H        43.4497    3.6241   61.3500  H     
29   H        44.7224    2.4100   61.5542  H     
30   H        41.4270    1.4686   60.5183  H     
31   H        39.8157    2.3835   58.9543  H     
32   H        38.3966    4.2399   59.6106  H     
33   H        38.6206    5.2108   61.8253  H     
34   H        40.2081    4.2812   63.4062  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	| 5.6440
  Crash		| -0.5125
  Polar		| 1.0764
  FragIndex	| 1
  FragRMSD	| 0.436