@<TRIPOS>MOLECULE
BindingDB_12131
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3271   -2.2344    9.1521  C     
2    C        18.7868   -0.9466    9.0585  C     
3    N        19.7288   -0.1461    8.5168  N     
4    C        20.8365   -0.8575    8.2440  C     
5    C        20.6072   -2.1762    8.6253  C     
6    C        22.0537   -0.4894    7.6475  C     
7    C        23.0237   -1.4922    7.4163  C     
8    C        21.5611   -3.1818    8.4114  C     
9    C        17.4797   -0.5727    9.3211  C     
10   C        16.5059   -1.2699    9.9967  C     
11   C        14.0770   -1.0427   10.1685  C     
12   C        15.3280   -0.5872    9.7249  C     
13   C        16.4727   -2.4071   10.8305  C     
14   C        15.2324   -2.8802   11.3044  C     
15   C        14.0235   -2.2123   10.9683  C     
16   N        16.9225    0.4514    8.7688  N     
17   N        15.6747    0.4756    8.9946  N     
18   C        22.7832   -2.8502    7.7711  C     
19   C        23.7647   -3.9479    7.5389  C     
20   C        22.4964   -6.0243    5.3413  C     
21   C        24.7984   -6.7150    6.2233  C     
22   C        25.2719   -5.2517    5.9950  C     
23   C        23.0328   -4.5713    5.1992  C     
24   N        24.1728   -4.2396    6.1211  N     
25   C        23.6361   -7.0775    5.2680  C     
26   C        12.7985   -2.7374   11.3523  C     
27   C        12.3124   -3.0729   12.5474  C     
28   C        12.8029   -2.8345   13.8865  C     
29   O        14.1417   -2.3424   13.9179  O     
30   N        11.8522   -2.9890   10.5384  N     
31   N        10.9069   -3.4944   11.1304  N     
32   N        11.1499   -3.5535   12.3284  N     
33   H        18.8635   -3.0949    9.4488  H     
34   H        19.6140    0.7955    8.3165  H     
35   H        22.2221    0.4799    7.3687  H     
36   H        23.9044   -1.2172    6.9788  H     
37   H        21.3512   -4.1442    8.6938  H     
38   H        13.2305   -0.5320    9.8988  H     
39   H        17.3254   -2.8950   11.0979  H     
40   H        15.2179   -3.7367   11.8701  H     
41   H        15.0527    1.1436    8.6633  H     
42   H        24.6468   -3.6729    8.1240  H     
43   H        23.3664   -4.8689    7.9736  H     
44   H        21.9540   -6.1354    6.2873  H     
45   H        21.7912   -6.2126    4.5271  H     
46   H        25.6363   -7.3970    6.0461  H     
47   H        24.4672   -6.8449    7.2570  H     
48   H        26.0822   -5.0165    6.6940  H     
49   H        25.6997   -5.1802    4.9861  H     
50   H        23.3801   -4.4390    4.1673  H     
51   H        22.1989   -3.8781    5.3487  H     
52   H        24.5801   -3.3717    5.7704  H     
53   H        23.2416   -8.0644    5.5228  H     
54   H        24.0234   -7.1241    4.2447  H     
55   H        12.1585   -2.0852   14.3597  H     
56   H        12.7613   -3.7616   14.4623  H     
57   H        14.2035   -1.7661   14.7137  H     
58   H        11.9244   -2.9412    9.6069  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   30 1
    33   27   28 1
    34   27   32 1
    35   28   29 1
    36   30   31 1
    37   31   32 2
    38    1   33 1
    39    3   34 1
    40    6   35 1
    41    7   36 1
    42    8   37 1
    43   11   38 1
    44   13   39 1
    45   14   40 1
    46   17   41 1
    47   19   42 1
    48   19   43 1
    49   20   44 1
    50   20   45 1
    51   21   46 1
    52   21   47 1
    53   22   48 1
    54   22   49 1
    55   23   50 1
    56   23   51 1
    57   24   52 1
    58   25   53 1
    59   25   54 1
    60   28   55 1
    61   28   56 1
    62   29   57 1
    63   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6623
  Crash		| -1.1435
  Polar		| 3.2885
  FragIndex	| 1
  FragRMSD	| 1.412