@<TRIPOS>MOLECULE
BindingDB_14144
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.9291    1.6747   25.6178  C     
2    C         8.6906    0.5246   24.8144  C     
3    C         8.7260    0.6796   23.3979  C     
4    C         8.9929    1.9260   22.7956  C     
5    C         9.1856    2.9191   25.0088  C     
6    C         9.2102    3.0331   23.6245  C     
7    C         9.6044    5.0048   24.4918  C     
8    N         9.4584    4.3124   23.3415  N     
9    C         8.4264   -0.7556   25.3970  C     
10   N         8.5942   -1.9075   24.7152  N     
11   N         7.9876   -0.9153   26.6610  N     
12   C         9.8668    6.4045   24.5998  C     
13   C        10.3806    9.1876   24.8804  C     
14   C        10.6271    8.5556   23.6499  C     
15   C        10.3058    7.1855   23.4935  C     
16   C         9.6971    7.0636   25.8469  C     
17   C         9.9219    8.4446   25.9753  C     
18   O        10.4631    6.6538   22.2585  O     
19   N         9.4341    4.1387   25.5187  N     
20   O        11.1682    9.3061   22.6388  O     
21   C        12.4090    8.8084   22.0808  C     
22   C        14.7713    8.2239   22.3720  C     
23   C        14.6861    9.4302   21.4109  C     
24   C        13.2464    9.9664   21.5109  C     
25   C        13.3887    8.1163   23.0533  C     
26   H         8.9306    1.6249   26.6386  H     
27   H         8.5394   -0.1118   22.7792  H     
28   H         9.0142    2.0238   21.7801  H     
29   H         9.5237    4.6717   22.4409  H     
30   H         8.4403   -2.7612   25.1511  H     
31   H         7.8283   -1.8135   26.9997  H     
32   H         7.8074   -0.1519   27.2327  H     
33   H        10.5715   10.1890   24.9918  H     
34   H         9.3911    6.5483   26.6742  H     
35   H         9.7778    8.9062   26.8786  H     
36   H        11.3212    6.1839   22.3021  H     
37   H        12.1846    8.1195   21.2587  H     
38   H        14.9780    7.3074   21.8062  H     
39   H        15.5646    8.3559   23.1180  H     
40   H        15.4063   10.2083   21.6845  H     
41   H        14.8972    9.1128   20.3848  H     
42   H        12.8625   10.2910   20.5381  H     
43   H        13.2113   10.8207   22.2009  H     
44   H        13.4044    8.6340   24.0187  H     
45   H        13.1231    7.0699   23.2193  H     
46   H         8.9035   -1.8962   23.7959  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    4    6 1
     7    5    6 2
     8    5   19 1
     9    6    8 1
    10    7    8 1
    11    7   12 1
    12    7   19 2
    13    9   10 2
    14    9   11 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   14   15 1
    20   14   20 1
    21   15   18 1
    22   16   17 2
    23   20   21 1
    24   21   24 1
    25   21   25 1
    26   22   23 1
    27   22   25 1
    28   23   24 1
    29    1   26 1
    30    3   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   10   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0823
  Crash		| -1.0224
  Polar		| 4.9065
  FragIndex	| 1
  FragRMSD	| 1.070