@<TRIPOS>MOLECULE
BindingDB_50195219
 58 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.5415   -1.3456   12.1416  C     
2    C        12.0433   -0.2874   11.3623  C     
3    C        12.8570    0.3202   10.3906  C     
4    C        13.8609   -1.8174   11.9525  C     
5    C        14.6959   -1.2075   10.9714  C     
6    C        14.1727   -0.1314   10.1994  C     
7    N        14.9658    0.4585    9.2593  N     
8    C        16.2271    0.0840    9.0572  C     
9    C        16.8062   -0.9351    9.7932  C     
10   C        16.0316   -1.5738   10.7086  C     
11   O        16.7941    0.6297    8.1179  O     
12   C        18.1519   -1.2899    9.6093  C     
13   N        19.1352   -0.4826    9.1426  N     
14   C        18.7273   -2.5444    9.8377  C     
15   C        14.2623   -2.8083   12.7037  C     
16   N        14.6144   -3.6800   13.3692  N     
17   C        20.0573   -2.4695    9.4603  C     
18   C        20.2857   -1.1667    9.0290  C     
19   C        21.5567   -0.7789    8.5724  C     
20   C        22.5867   -1.7465    8.5237  C     
21   C        22.3516   -3.0834    8.9397  C     
22   C        21.0749   -3.4354    9.4386  C     
23   C        23.4091   -4.1261    8.8638  C     
24   N        23.0083   -5.3180    8.0377  N     
25   C        22.8256   -5.0468    6.5702  C     
26   C        24.1536   -5.0164    5.7581  C     
27   C        25.0383   -6.2805    5.9842  C     
28   C        25.2231   -6.4935    7.5164  C     
29   C        23.8599   -6.5306    8.2596  C     
30   C        24.5979   -7.5844    5.2166  C     
31   N        23.3673   -7.4933    4.4117  N     
32   H        11.9248   -1.7649   12.8430  H     
33   H        11.0861    0.0443   11.5028  H     
34   H        12.4831    1.0926    9.8326  H     
35   H        14.5908    1.1627    8.7079  H     
36   H        16.4242   -2.3010   11.2555  H     
37   H        19.0381    0.4579    8.9251  H     
38   H        18.2573   -3.3917   10.1653  H     
39   H        21.7283    0.1791    8.2663  H     
40   H        23.5062   -1.4687    8.1748  H     
41   H        20.8794   -4.3799    9.7759  H     
42   H        24.3441   -3.7031    8.4795  H     
43   H        23.6090   -4.4439    9.8917  H     
44   H        22.0776   -5.5785    8.3807  H     
45   H        22.1767   -5.8307    6.1549  H     
46   H        22.2971   -4.1053    6.4069  H     
47   H        23.9446   -4.9039    4.6960  H     
48   H        24.7185   -4.1305    6.0688  H     
49   H        26.0312   -6.0270    5.5974  H     
50   H        25.7699   -7.4174    7.7091  H     
51   H        25.8261   -5.6777    7.9251  H     
52   H        24.0436   -6.6832    9.3278  H     
53   H        23.3017   -7.4082    7.9236  H     
54   H        25.3965   -7.8779    4.5258  H     
55   H        24.4595   -8.4128    5.9103  H     
56   H        22.5571   -7.2787    5.0137  H     
57   H        23.2109   -8.3962    3.9417  H     
58   H        23.4715   -6.7694    3.6979  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    4   15 1
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   18 1
    18   14   17 1
    19   15   16 3
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   20   21 1
    25   21   22 2
    26   21   23 1
    27   23   24 1
    28   24   25 1
    29   24   29 1
    30   25   26 1
    31   26   27 1
    32   27   28 1
    33   27   30 1
    34   28   29 1
    35   30   31 1
    36    1   32 1
    37    2   33 1
    38    3   34 1
    39    7   35 1
    40   10   36 1
    41   13   37 1
    42   14   38 1
    43   19   39 1
    44   20   40 1
    45   22   41 1
    46   23   42 1
    47   23   43 1
    48   24   44 1
    49   25   45 1
    50   25   46 1
    51   26   47 1
    52   26   48 1
    53   27   49 1
    54   28   50 1
    55   28   51 1
    56   29   52 1
    57   29   53 1
    58   30   54 1
    59   30   55 1
    60   31   56 1
    61   31   57 1
    62   31   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4914
  Crash		| -1.8351
  Polar		| 5.1401
  FragIndex	| 1
  FragRMSD	| 1.006