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


@<TRIPOS>ATOM
1    C        15.6066   20.1301   -5.6677  C     
2    C        14.2011   18.5524   -6.9212  C     
3    O        14.9237   18.5699   -7.9126  O     
4    C        12.9988   17.7595   -6.9860  C     
5    C        11.7546   18.3702   -6.3648  C     
6    C        10.4161   18.0019   -6.7398  C     
7    O        10.2249   17.4252   -7.8015  O     
8    N         9.4306   18.3862   -5.9469  N     
9    C         8.0290   18.1239   -6.1390  C     
10   C         7.4391   18.8506   -7.2847  C     
11   O         7.4973   20.0738   -7.2284  O     
12   C         7.2298   18.3837   -4.8097  C     
13   C         7.7771   17.4874   -3.6565  C     
14   O        12.4498   17.2678   -5.7543  O     
15   N        14.5233   19.2140   -5.8137  N     
16   C         7.1711   19.8874   -4.3576  C     
17   C         5.7349   20.3970   -4.0908  C     
18   C         6.1959   16.6816  -10.0098  C     
19   C         6.8607   16.8680   -8.6342  C     
20   C         6.1933   19.0216   -9.4158  C     
21   C         6.2960   18.0740  -10.6386  C     
22   N         6.8427   18.2774   -8.3568  N     
23   C         4.8019   19.4165   -9.0358  C     
24   O         4.6121   20.1655   -7.9166  O     
25   O         3.7545   19.0869   -9.8416  O     
26   C         2.3648   19.4450   -9.7536  C     
27   C         1.4996   18.4154   -9.1268  C     
28   C        -0.2293   16.4869   -7.9591  C     
29   C         1.1673   16.3261   -7.8767  C     
30   C         2.0219   17.2879   -8.4495  C     
31   C         0.0931   18.5669   -9.1894  C     
32   C        -0.7656   17.6106   -8.6132  C     
33   C        16.0141   20.2057   -4.2429  C     
34   C        17.3378   19.8961   -3.8445  C     
35   C        17.7017   19.9236   -2.4844  C     
36   C        16.7475   20.2588   -1.5049  C     
37   C        15.4312   20.5810   -1.8859  C     
38   C        15.0728   20.5650   -3.2475  C     
39   H        16.4415   19.8104   -6.2998  H     
40   H        15.2881   21.1223   -6.0094  H     
41   H        12.8478   17.0831   -7.8282  H     
42   H        11.8858   19.2847   -5.7844  H     
43   H         9.6926   18.8535   -5.1393  H     
44   H         7.9740   17.0521   -6.3334  H     
45   H         6.2047   18.0318   -4.9916  H     
46   H         7.7424   16.4294   -3.9367  H     
47   H         7.1684   17.6173   -2.7580  H     
48   H         8.8124   17.7459   -3.4126  H     
49   H        13.9374   19.0937   -5.0442  H     
50   H         7.7645   20.0318   -3.4465  H     
51   H         7.5965   20.5376   -5.1239  H     
52   H         5.1255   20.2929   -4.9919  H     
53   H         5.7615   21.4525   -3.8211  H     
54   H         5.2663   19.8379   -3.2771  H     
55   H         6.7080   15.9319  -10.6145  H     
56   H         5.1489   16.3955   -9.8934  H     
57   H         6.3147   16.3149   -7.8663  H     
58   H         7.8959   16.5138   -8.6861  H     
59   H         6.7504   19.9314   -9.6658  H     
60   H         7.2739   18.1956  -11.1136  H     
61   H         5.5255   18.2440  -11.3908  H     
62   H         2.2284   20.3970   -9.2278  H     
63   H         2.0374   19.5838  -10.7854  H     
64   H        -0.8526   15.7823   -7.5494  H     
65   H         1.5572   15.5091   -7.3982  H     
66   H         3.0280   17.1538   -8.3606  H     
67   H        -0.3222   19.3658   -9.6686  H     
68   H        -1.7832   17.7250   -8.6751  H     
69   H        18.0447   19.6419   -4.5368  H     
70   H        18.6581   19.7021   -2.2052  H     
71   H        17.0107   20.2750   -0.5165  H     
72   H        14.7367   20.8261   -1.1757  H     
73   H        14.1123   20.8002   -3.5069  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	| 8.1096
  Crash		| -2.6139
  Polar		| 2.2632
  FragIndex	| 1
  FragRMSD	| 0.819