@<TRIPOS>MOLECULE
BindingDB_7160
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.8647  205.4426  110.9704  C     
2    C       -11.9217  206.0412  111.7861  C     
3    C       -10.9684  206.6009  110.9524  C     
4    N       -12.4495  205.6459  109.7103  N     
5    N       -11.3413  206.3259  109.6896  N     
6    N        -9.8577  207.3095  111.2614  N     
7    C        -9.3532  207.5892  112.4621  C     
8    O        -9.8424  207.1627  113.5008  O     
9    C       -14.0877  204.8000  111.4916  C     
10   C       -15.3252  204.6687  110.5867  C     
11   C       -14.4888  203.4210  110.9402  C     
12   C        -8.1482  208.3913  112.5807  C     
13   C        -6.9277  207.5404  112.6366  C     
14   C        -4.5524  205.9749  112.6853  C     
15   C        -5.4412  205.8875  111.5941  C     
16   C        -6.6198  206.6583  111.5775  C     
17   C        -6.0325  207.6205  113.7291  C     
18   C        -4.8568  206.8494  113.7502  C     
19   C        -3.3288  205.2745  112.6803  C     
20   C        -3.2427  203.9474  113.1568  C     
21   C        -2.1508  205.9427  112.2808  C     
22   C        -0.9038  205.2971  112.3638  C     
23   C        -0.8243  203.9834  112.8625  C     
24   C        -1.9947  203.2939  113.2670  C     
25   C        -1.9256  201.9280  113.8340  C     
26   H       -11.9632  206.0720  112.8014  H     
27   H       -12.9090  205.3425  108.9096  H     
28   H        -9.3679  207.6537  110.5024  H     
29   H       -14.3088  204.9096  112.5556  H     
30   H       -16.2844  204.7509  111.1006  H     
31   H       -15.2279  205.0318  109.5654  H     
32   H       -13.8905  203.0174  110.1219  H     
33   H       -14.9390  202.7373  111.6601  H     
34   H        -8.0513  209.0802  111.7354  H     
35   H        -8.2387  209.0191  113.4728  H     
36   H        -5.2289  205.2919  110.7915  H     
37   H        -7.2405  206.5953  110.7697  H     
38   H        -6.2129  208.2584  114.5081  H     
39   H        -4.2068  206.9504  114.5334  H     
40   H        -4.0911  203.4625  113.4560  H     
41   H        -2.1866  206.9102  111.9410  H     
42   H        -0.0542  205.7892  112.0797  H     
43   H         0.0919  203.5373  112.9313  H     
44   H        -2.4074  201.9155  114.8115  H     
45   H        -0.9009  201.5853  113.9689  H     
46   H        -2.4389  201.2330  113.1673  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 1
    15   13   16 1
    16   13   17 2
    17   14   15 1
    18   14   18 2
    19   14   19 1
    20   15   16 2
    21   17   18 1
    22   19   20 1
    23   19   21 2
    24   20   24 2
    25   21   22 1
    26   22   23 2
    27   23   24 1
    28   24   25 1
    29    2   26 1
    30    4   27 1
    31    6   28 1
    32    9   29 1
    33   10   30 1
    34   10   31 1
    35   11   32 1
    36   11   33 1
    37   12   34 1
    38   12   35 1
    39   15   36 1
    40   16   37 1
    41   17   38 1
    42   18   39 1
    43   20   40 1
    44   21   41 1
    45   22   42 1
    46   23   43 1
    47   25   44 1
    48   25   45 1
    49   25   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8816
  Crash		| -1.2088
  Polar		| 2.6600
  FragIndex	| 1
  FragRMSD	| 1.085