@<TRIPOS>MOLECULE
BindingDB_12123
 53 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.1270   -2.1704   10.0078  C     
2    C        19.4077   -1.3239    9.1451  C     
3    N        20.2901   -0.8264    8.2547  N     
4    C        21.5150   -1.3271    8.4868  C     
5    C        21.4513   -2.1585    9.5982  C     
6    C        22.7287   -1.1499    7.8051  C     
7    C        23.8806   -1.8017    8.2842  C     
8    C        22.5890   -2.8092   10.1018  C     
9    C        18.0558   -1.0266    9.1291  C     
10   C        17.0125   -1.5998    9.8207  C     
11   C        14.5894   -1.2614    9.8095  C     
12   C        15.8803   -0.9464    9.3584  C     
13   C        16.8699   -2.6211   10.7802  C     
14   C        15.5876   -2.9530   11.2558  C     
15   C        14.4262   -2.2850   10.7811  C     
16   N        17.5650   -0.1391    8.3363  N     
17   N        16.3056   -0.0607    8.4548  N     
18   C        23.8352   -2.6135    9.4593  C     
19   C        25.0806   -3.1864   10.0470  C     
20   C        26.6975    0.0766   11.5075  C     
21   C        28.4491   -1.3407   10.6691  C     
22   C        27.4341   -2.2943    9.9984  C     
23   C        25.6075   -0.8271   10.8729  C     
24   N        26.0885   -2.2377   10.6622  N     
25   O        27.9249    0.0014   10.7498  O     
26   C        13.1424   -2.6580   11.2761  C     
27   C        11.8807   -2.2681   10.8294  C     
28   C        10.9602   -2.9125   11.6420  C     
29   N        12.9040   -3.4898   12.3083  N     
30   N        11.6394   -3.6483   12.5334  N     
31   H        19.7818   -2.6946   10.8071  H     
32   H        20.0767   -0.2134    7.5358  H     
33   H        22.7756   -0.5416    6.9849  H     
34   H        24.7713   -1.6540    7.8055  H     
35   H        22.5006   -3.3757   10.9498  H     
36   H        13.7929   -0.7518    9.4219  H     
37   H        17.6675   -3.1529   11.1156  H     
38   H        15.5171   -3.6993   11.9442  H     
39   H        15.7288    0.5290    7.9459  H     
40   H        24.8222   -3.8891   10.8428  H     
41   H        25.5407   -3.8038    9.2686  H     
42   H        26.3591    1.1168   11.4865  H     
43   H        26.8738   -0.2173   12.5503  H     
44   H        28.7122   -1.7111   11.6703  H     
45   H        29.3650   -1.3135   10.0735  H     
46   H        27.3493   -2.0249    8.9432  H     
47   H        27.8285   -3.3152   10.0633  H     
48   H        24.7284   -0.8330   11.5350  H     
49   H        25.3155   -0.3948    9.9085  H     
50   H        26.2498   -2.6028   11.6149  H     
51   H        11.6598   -1.6432   10.0506  H     
52   H         9.9429   -2.8493   11.5810  H     
53   H        13.5981   -3.9251   12.8279  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 2
    32   26   29 1
    33   27   28 1
    34   28   30 2
    35   29   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   27   51 1
    57   28   52 1
    58   29   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1130
  Crash		| -0.9977
  Polar		| 2.0902
  FragIndex	| 1
  FragRMSD	| 0.795