@<TRIPOS>MOLECULE
BindingDB_16505
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.3980   19.9734   -5.3263  C     
2    C        14.0234   18.3331   -6.5486  C     
3    O        14.9338   18.0144   -7.3015  O     
4    C        12.7594   17.6306   -6.6995  C     
5    C        11.4338   18.3177   -6.4096  C     
6    C        10.1344   17.7728   -6.7502  C     
7    O        10.0651   16.7495   -7.4154  O     
8    N         9.0562   18.4145   -6.3085  N     
9    C         7.6792   17.9807   -6.4176  C     
10   C         6.9650   18.8468   -7.3749  C     
11   O         6.9255   20.0348   -7.0579  O     
12   C         6.9871   17.8846   -4.9974  C     
13   C         7.9858   17.4957   -3.8619  C     
14   O        12.0695   17.4302   -5.4623  O     
15   N        14.1944   19.2460   -5.6041  N     
16   C         6.0748   19.0867   -4.5544  C     
17   C         6.7792   20.4118   -4.1673  C     
18   C         5.8139   17.2291  -10.4855  C     
19   C         6.5162   17.1624   -9.1151  C     
20   C         5.6606   19.3684   -9.3955  C     
21   C         5.8020   18.7221  -10.7918  C     
22   N         6.3946   18.4725   -8.5385  N     
23   C         4.2558   19.5689   -8.9290  C     
24   O         4.0108   19.9299   -7.6476  O     
25   O         3.2141   19.4223   -9.7982  O     
26   C         1.8074   19.6731   -9.6146  C     
27   C         1.0197   18.4212   -9.4916  C     
28   C        -0.5248   16.0404   -9.3100  C     
29   C         0.6601   16.0615  -10.0710  C     
30   C         1.4180   17.2384  -10.1669  C     
31   C        -0.1880   18.3888   -8.7487  C     
32   C        -0.9491   17.2130   -8.6546  C     
33   C        16.5330   19.1977   -4.7539  C     
34   C        17.6549   19.9143   -4.2686  C     
35   C        18.7817   19.2391   -3.7648  C     
36   C        18.7949   17.8302   -3.7115  C     
37   C        17.6745   17.1047   -4.1623  C     
38   C        16.5578   17.7773   -4.6798  C     
39   H        15.7177   20.4654   -6.2512  H     
40   H        15.1321   20.7542   -4.6118  H     
41   H        12.7179   16.7547   -7.3528  H     
42   H        11.4800   19.3526   -6.0710  H     
43   H         9.2100   19.2437   -5.8205  H     
44   H         7.6795   16.9558   -6.7929  H     
45   H         6.2998   17.0247   -5.0744  H     
46   H         8.5536   16.5972   -4.1315  H     
47   H         7.4309   17.2898   -2.9367  H     
48   H         8.6934   18.3114   -3.6825  H     
49   H        13.4319   19.4611   -5.0515  H     
50   H         5.3609   19.3080   -5.3520  H     
51   H         5.4762   18.7660   -3.6911  H     
52   H         7.3531   20.2889   -3.2331  H     
53   H         6.0135   21.1774   -4.0077  H     
54   H         7.4408   20.7647   -4.9643  H     
55   H         6.3482   16.6599  -11.2497  H     
56   H         4.7907   16.8610  -10.4111  H     
57   H         6.0464   16.4043   -8.4780  H     
58   H         7.5732   16.9189   -9.2636  H     
59   H         6.1393   20.3478   -9.4409  H     
60   H         6.7535   19.0016  -11.2551  H     
61   H         4.9986   19.0032  -11.4772  H     
62   H         1.6391   20.3343   -8.7558  H     
63   H         1.4547   20.2023  -10.5041  H     
64   H        -1.0846   15.1905   -9.2527  H     
65   H         0.9659   15.2138  -10.5622  H     
66   H         2.2611   17.2326  -10.7459  H     
67   H        -0.5367   19.2407   -8.2950  H     
68   H        -1.8173   17.2001   -8.1142  H     
69   H        17.6571   20.9419   -4.2902  H     
70   H        19.5944   19.7677   -3.4444  H     
71   H        19.6071   17.3394   -3.3358  H     
72   H        17.6745   16.0806   -4.1098  H     
73   H        15.7621   17.2230   -5.0096  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   33 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   26 1
    29   26   27 1
    30   27   30 2
    31   27   31 1
    32   28   29 2
    33   28   32 1
    34   29   30 1
    35   31   32 2
    36   33   34 2
    37   33   38 1
    38   34   35 1
    39   35   36 2
    40   36   37 1
    41   37   38 2
    42    1   39 1
    43    1   40 1
    44    4   41 1
    45    5   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   13   46 1
    50   13   47 1
    51   13   48 1
    52   15   49 1
    53   16   50 1
    54   16   51 1
    55   17   52 1
    56   17   53 1
    57   17   54 1
    58   18   55 1
    59   18   56 1
    60   19   57 1
    61   19   58 1
    62   20   59 1
    63   21   60 1
    64   21   61 1
    65   26   62 1
    66   26   63 1
    67   28   64 1
    68   29   65 1
    69   30   66 1
    70   31   67 1
    71   32   68 1
    72   34   69 1
    73   35   70 1
    74   36   71 1
    75   37   72 1
    76   38   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2355
  Crash		| -1.9098
  Polar		| 2.1073
  FragIndex	| 1
  FragRMSD	| 1.089