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


@<TRIPOS>ATOM
1    C        19.8277   -2.3738    9.7567  C     
2    C        19.1189   -1.3079    9.1863  C     
3    N        20.0144   -0.5611    8.5024  N     
4    C        21.2398   -1.0915    8.6064  C     
5    C        21.1624   -2.2294    9.4009  C     
6    C        22.4642   -0.6837    8.0479  C     
7    C        23.6253   -1.4436    8.3219  C     
8    C        22.3153   -2.9866    9.6917  C     
9    C        17.7664   -1.0032    9.2155  C     
10   C        16.6976   -1.6231    9.8320  C     
11   C        14.2738   -1.2245    9.8179  C     
12   C        15.5817   -0.9073    9.4179  C     
13   C        16.5136   -2.7132   10.7080  C     
14   C        15.2117   -3.0502   11.1401  C     
15   C        14.0802   -2.3004   10.7220  C     
16   N        17.2942   -0.0167    8.5360  N     
17   N        16.0347    0.0690    8.6315  N     
18   C        23.5733   -2.5838    9.1623  C     
19   C        24.8084   -3.3816    9.4133  C     
20   C        27.0519   -0.7687   11.2487  C     
21   C        28.1882   -3.0487   11.3073  C     
22   C        27.1314   -3.5517   10.2884  C     
23   C        26.0517   -1.3194   10.1916  C     
24   N        25.8339   -2.7948   10.3483  N     
25   C        28.4057   -1.5236   11.1914  C     
26   C        12.8104   -2.6331   11.1701  C     
27   C        12.3383   -2.9348   12.3847  C     
28   C        12.9044   -2.7965   13.7106  C     
29   O        14.2611   -2.3424   13.7033  O     
30   N        11.7899   -2.7263   10.4058  N     
31   N        10.8100   -3.0977   11.0379  N     
32   N        11.1069   -3.2348   12.2169  N     
33   H        19.4608   -3.1324   10.3201  H     
34   H        19.8029    0.2472    8.0071  H     
35   H        22.5035    0.1405    7.4410  H     
36   H        24.5069   -1.1665    7.8915  H     
37   H        22.2285   -3.8219   10.2820  H     
38   H        13.4918   -0.6624    9.4722  H     
39   H        17.3072   -3.2509   11.0497  H     
40   H        15.0975   -3.8486   11.7676  H     
41   H        15.4795    0.7358    8.1981  H     
42   H        24.5335   -4.3596    9.8156  H     
43   H        25.2680   -3.5764    8.4388  H     
44   H        27.2233    0.2965   11.0796  H     
45   H        26.6169   -0.8844   12.2458  H     
46   H        27.8617   -3.2941   12.3216  H     
47   H        29.1377   -3.5592   11.1296  H     
48   H        27.5586   -3.4794    9.2826  H     
49   H        26.9479   -4.6116   10.4945  H     
50   H        25.1106   -0.7906   10.3330  H     
51   H        26.4215   -1.0851    9.1882  H     
52   H        25.4835   -2.9269   11.3025  H     
53   H        28.9049   -1.2959   10.2481  H     
54   H        29.0493   -1.1834   12.0053  H     
55   H        12.3037   -2.0732   14.2712  H     
56   H        12.8737   -3.7516   14.2290  H     
57   H        14.2982   -1.6638   14.4267  H     
58   H        11.7590   -2.4152    9.5190  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	| 6.6136
  Crash		| -1.1112
  Polar		| 3.1782
  FragIndex	| 1
  FragRMSD	| 0.416