@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.4184   20.1964   -5.6810  C     
2    C        13.9888   18.5007   -6.7222  C     
3    O        14.8966   18.1244   -7.4554  O     
4    C        12.7719   17.7174   -6.7244  C     
5    C        11.4420   18.3724   -6.3613  C     
6    C        10.1348   17.8048   -6.5934  C     
7    O        10.0243   16.7186   -7.1531  O     
8    N         9.0825   18.4901   -6.1690  N     
9    C         7.6983   18.1010   -6.1993  C     
10   C         7.0225   18.8044   -7.3043  C     
11   O         7.0418   20.0303   -7.2300  O     
12   C         7.0383   18.3319   -4.7851  C     
13   C         7.7594   17.4881   -3.6889  C     
14   O        12.1610   17.5260   -5.4480  O     
15   N        14.1887   19.4887   -5.8532  N     
16   C         6.9006   19.8274   -4.3123  C     
17   C         5.4343   20.3022   -4.1940  C     
18   C         5.9340   16.7024  -10.1404  C     
19   C         6.5532   16.8517   -8.7377  C     
20   C         5.8069   19.0126   -9.4357  C     
21   C         5.9776   18.1284  -10.6948  C     
22   N         6.4636   18.2489   -8.3959  N     
23   C         4.4006   19.3501   -9.0820  C     
24   O         4.1276   19.9190   -7.8812  O     
25   O         3.3996   19.1170   -9.9801  O     
26   C        15.4890   20.8964   -4.2993  C     
27   C        16.9422   21.0401   -3.7932  C     
28   C         2.0030   19.4392   -9.8829  C     
29   C         1.1629   18.2217   -9.7237  C     
30   C        -0.4863   15.9232   -9.4957  C     
31   C         0.6729   15.8813  -10.2872  C     
32   C         1.4890   17.0253  -10.4092  C     
33   C        -0.0230   18.2539   -8.9528  C     
34   C        -0.8375   17.1111   -8.8304  C     
35   H        16.2403   19.4757   -5.7630  H     
36   H        15.5358   20.9459   -6.4725  H     
37   H        12.6968   16.8577   -7.3936  H     
38   H        11.4879   19.4050   -6.0103  H     
39   H         9.2702   19.3636   -5.7981  H     
40   H         7.6420   17.0236   -6.3781  H     
41   H         6.0333   17.8997   -4.8524  H     
42   H         7.7380   16.4239   -3.9355  H     
43   H         7.2539   17.6175   -2.7293  H     
44   H         8.8014   17.7999   -3.5736  H     
45   H        13.4521   19.7285   -5.2674  H     
46   H         7.3606   19.9784   -3.3287  H     
47   H         7.4203   20.5048   -4.9935  H     
48   H         4.9215   20.1923   -5.1526  H     
49   H         5.4102   21.3536   -3.8986  H     
50   H         4.9066   19.7131   -3.4387  H     
51   H         6.5040   16.0127  -10.7691  H     
52   H         4.9011   16.3492  -10.0681  H     
53   H         6.0198   16.2260   -8.0126  H     
54   H         7.6059   16.5514   -8.7742  H     
55   H         6.3418   19.9511   -9.6298  H     
56   H         6.9615   18.3018  -11.1403  H     
57   H         5.2204   18.2964  -11.4618  H     
58   H        15.0358   21.8896   -4.3740  H     
59   H        14.9238   20.3173   -3.5630  H     
60   H        17.4095   20.0567   -3.6942  H     
61   H        16.9651   21.5268   -2.8156  H     
62   H        17.5249   21.6390   -4.4954  H     
63   H         1.8153   20.1501   -9.0658  H     
64   H         1.7141   19.9284  -10.8147  H     
65   H        -1.0806   15.0985   -9.4062  H     
66   H         0.9168   15.0222  -10.7839  H     
67   H         2.3217   16.9758  -11.0033  H     
68   H        -0.3152   19.1214   -8.4933  H     
69   H        -1.6906   17.1560   -8.2701  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3787
  Crash		| -1.9967
  Polar		| 1.9013
  FragIndex	| 1
  FragRMSD	| 1.005