@<TRIPOS>MOLECULE
BindingDB_50212493
 62 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.3794    8.6999  -20.1716  C     
2    C         1.3616    7.7471  -19.1321  C     
3    C         0.1843    7.4683  -18.3795  C     
4    C         0.2238    9.4255  -20.4981  C     
5    C        -0.9434    9.1546  -19.7660  C     
6    C        -0.9914    8.1956  -18.7376  C     
7    C        -2.3711    8.1741  -18.1470  C     
8    C        -2.1802    9.7372  -19.8650  C     
9    C        -3.0428    9.2174  -18.9363  C     
10   C        -4.2515    9.8940  -19.1227  C     
11   N        -4.0310   10.7575  -20.1447  N     
12   N        -2.8149   10.6558  -20.5823  N     
13   C        -5.4954    9.7910  -18.4262  C     
14   C        -6.5877   10.6168  -18.8030  C     
15   C        -7.8222   10.5569  -18.1303  C     
16   C        -8.0166    9.6632  -17.0552  C     
17   C        -6.9429    8.8244  -16.6809  C     
18   C        -5.7051    8.8917  -17.3516  C     
19   C        -9.2865    9.5973  -16.4004  C     
20   C        -9.9577    8.3610  -16.2362  C     
21   C       -11.2490    8.3030  -15.6747  C     
22   C       -11.8990    9.4850  -15.2679  C     
23   C       -11.2315   10.7158  -15.3922  C     
24   C        -9.9432   10.7717  -15.9550  C     
25   O       -13.1629    9.4748  -14.7673  O     
26   C         0.2256    6.5598  -17.3199  C     
27   N        -0.7888    5.7397  -17.0716  N     
28   O         1.2206    6.5184  -16.5977  O     
29   C        -0.9415    4.8068  -15.9886  C     
30   C        -2.4632    4.6927  -15.6788  C     
31   C        -2.7775    3.6031  -14.6231  C     
32   C        -2.1886    2.2303  -15.0516  C     
33   C        -0.6512    2.3451  -15.2499  C     
34   C        -0.2878    3.4296  -16.3030  C     
35   O        -2.4891    1.2515  -14.0571  O     
36   H         2.2413    8.8615  -20.7017  H     
37   H         2.2243    7.2425  -18.9297  H     
38   H         0.2329   10.1223  -21.2345  H     
39   H        -2.8652    7.2175  -18.3188  H     
40   H        -2.3378    8.4238  -17.0877  H     
41   H        -2.4166   11.1730  -21.2956  H     
42   H        -6.4960   11.2798  -19.5739  H     
43   H        -8.5822   11.1654  -18.4497  H     
44   H        -7.0516    8.1693  -15.9029  H     
45   H        -4.9550    8.2779  -17.0341  H     
46   H        -9.5181    7.4906  -16.5556  H     
47   H       -11.7165    7.3971  -15.5816  H     
48   H       -11.6917   11.5775  -15.0842  H     
49   H        -9.4853   11.6857  -16.0345  H     
50   H       -13.5041    8.5690  -14.8896  H     
51   H        -1.5202    5.7574  -17.7015  H     
52   H        -0.4601    5.2141  -15.0983  H     
53   H        -2.8307    5.6567  -15.3114  H     
54   H        -3.0079    4.4520  -16.5999  H     
55   H        -2.3629    3.9006  -13.6587  H     
56   H        -3.8654    3.5142  -14.5105  H     
57   H        -2.6606    1.9258  -15.9918  H     
58   H        -0.1905    2.5991  -14.2891  H     
59   H        -0.2595    1.3763  -15.5607  H     
60   H        -0.6039    3.0878  -17.2850  H     
61   H         0.8035    3.5335  -16.3133  H     
62   H        -2.6592    0.4273  -14.5692  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    3   26 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   17   18 2
    24   19   20 2
    25   19   24 1
    26   20   21 1
    27   21   22 2
    28   22   23 1
    29   22   25 1
    30   23   24 2
    31   26   27 am
    32   26   28 2
    33   29   27 1
    34   29   30 1
    35   29   34 1
    36   30   31 1
    37   31   32 1
    38   32   33 1
    39   32   35 1
    40   33   34 1
    41    1   36 1
    42    2   37 1
    43    4   38 1
    44    7   39 1
    45    7   40 1
    46   12   41 1
    47   14   42 1
    48   15   43 1
    49   17   44 1
    50   18   45 1
    51   20   46 1
    52   21   47 1
    53   23   48 1
    54   24   49 1
    55   25   50 1
    56   27   51 1
    57   29   52 1
    58   30   53 1
    59   30   54 1
    60   31   55 1
    61   31   56 1
    62   32   57 1
    63   33   58 1
    64   33   59 1
    65   34   60 1
    66   34   61 1
    67   35   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6761
  Crash		| -2.0378
  Polar		| 3.4501
  FragIndex	| 1
  FragRMSD	| 1.211