@<TRIPOS>MOLECULE
BindingDB_14696
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.3522   13.7177   21.7805  C     
2    C        21.0223   12.5570   21.3295  C     
3    C        20.4135   11.2916   21.3867  C     
4    C        19.1021   11.1685   21.8823  C     
5    C        18.4297   12.3008   22.3692  C     
6    C        19.0513   13.5641   22.3305  C     
7    C        20.9342   15.0197   21.6256  C     
8    C        22.0185   17.6139   21.1433  C     
9    C        20.6795   17.4658   21.5560  C     
10   C        20.1586   16.1875   21.8282  C     
11   C        22.2735   15.1808   21.1874  C     
12   C        22.8107   16.4595   20.9562  C     
13   C        22.5849   18.9647   20.9497  C     
14   C        22.1014   18.8920   24.4890  C     
15   C        23.0240   19.4579   23.3609  C     
16   C        21.4266   20.7998   22.0872  C     
17   C        20.2957   20.7807   24.3395  C     
18   C        21.2562   19.9579   25.2316  C     
19   N        22.3071   19.7956   22.1242  N     
20   O        20.8955   21.1212   20.9992  O     
21   C        21.0177   21.6216   23.2443  C     
22   N        20.1797   22.7400   22.8850  N     
23   C        20.6320   23.8326   22.2821  C     
24   O        21.8283   23.8643   21.9756  O     
25   C        19.7562   24.9291   21.9098  C     
26   N        20.2822   26.1014   22.5714  N     
27   C        19.5906   27.1180   23.0743  C     
28   C        20.2855   28.1742   23.7844  C     
29   O        18.3733   27.2221   22.9147  O     
30   C        19.6144   25.0657   20.3535  C     
31   C        19.3669   26.4617   19.9215  C     
32   C        20.0635   28.7950   19.9556  C     
33   C        20.3285   27.4409   20.2049  C     
34   C        18.1584   26.8336   19.2985  C     
35   C        17.8799   28.1937   19.0049  C     
36   C        18.8384   29.1778   19.3775  C     
37   C        18.5718   30.5670   19.3344  C     
38   O        19.4419   31.3989   18.7010  O     
39   O        17.8899   31.0785   20.3900  O     
40   C        16.7017   28.5279   18.3683  C     
41   O        15.6208   28.4958   18.9587  O     
42   H        21.9597   12.6092   20.9115  H     
43   H        20.9035   10.4643   21.0363  H     
44   H        18.6491   10.2504   21.8934  H     
45   H        17.4826   12.2134   22.7479  H     
46   H        18.5249   14.3647   22.6954  H     
47   H        20.0693   18.2758   21.6628  H     
48   H        19.1882   16.1366   22.1393  H     
49   H        22.8902   14.3771   21.0442  H     
50   H        23.7843   16.5381   20.6523  H     
51   H        23.6669   18.9292   20.7986  H     
52   H        22.1652   19.3448   20.0172  H     
53   H        21.4370   18.1242   24.0708  H     
54   H        22.7382   18.3949   25.2305  H     
55   H        23.5655   20.3443   23.7179  H     
56   H        23.7887   18.6991   23.1712  H     
57   H        19.5536   20.1264   23.8731  H     
58   H        19.7625   21.4575   25.0073  H     
59   H        20.6580   19.4330   25.9777  H     
60   H        21.9347   20.6313   25.7603  H     
61   H        21.9229   22.0609   23.6916  H     
62   H        19.2317   22.6918   23.0786  H     
63   H        18.7466   24.7358   22.3107  H     
64   H        21.2498   26.1571   22.6704  H     
65   H        20.8084   27.7578   24.6562  H     
66   H        19.5983   28.9508   24.1340  H     
67   H        21.0239   28.6444   23.1228  H     
68   H        20.5190   24.7139   19.8565  H     
69   H        18.8033   24.4053   20.0330  H     
70   H        20.7476   29.4881   20.2506  H     
71   H        21.1982   27.1926   20.6668  H     
72   H        17.4612   26.1213   19.0763  H     
73   H        16.7223   29.0170   17.5007  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   40 1
    41   36   37 1
    42   37   38 2
    43   37   39 1
    44   40   41 2
    45    2   42 1
    46    3   43 1
    47    4   44 1
    48    5   45 1
    49    6   46 1
    50    9   47 1
    51   10   48 1
    52   11   49 1
    53   12   50 1
    54   13   51 1
    55   13   52 1
    56   14   53 1
    57   14   54 1
    58   15   55 1
    59   15   56 1
    60   17   57 1
    61   17   58 1
    62   18   59 1
    63   18   60 1
    64   21   61 1
    65   22   62 1
    66   25   63 1
    67   26   64 1
    68   28   65 1
    69   28   66 1
    70   28   67 1
    71   30   68 1
    72   30   69 1
    73   32   70 1
    74   33   71 1
    75   34   72 1
    76   40   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8123
  Crash		| -2.5831
  Polar		| 4.6131
  FragIndex	| 1
  FragRMSD	| 0.999