@<TRIPOS>MOLECULE
BindingDB_19775
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -21.0381   -2.7705   32.6680  C     
2    C       -22.2671   -3.1752   33.3610  C     
3    C       -20.1240   -3.7022   35.4618  C     
4    C       -19.8301   -2.3235   33.3606  C     
5    O       -21.0656   -2.6706   31.4437  O     
6    N       -19.3573   -3.3195   34.2882  N     
7    C       -17.6926   -4.7018   32.2398  C     
8    C       -18.4712   -4.7961   29.9816  C     
9    C       -16.4453   -5.2349   31.8475  C     
10   C       -16.2240   -5.5321   30.4850  C     
11   C       -17.2424   -5.3032   29.5403  C     
12   N       -18.6442   -4.5269   31.2952  N     
13   S       -17.9735   -4.2251   33.8967  S     
14   O       -16.6963   -3.4347   34.4253  O     
15   O       -17.9624   -5.5824   34.7277  O     
16   N       -22.3883   -4.6179   33.4081  N     
17   C       -23.4382   -5.3024   33.8773  C     
18   O       -24.4613   -4.7109   34.2081  O     
19   C       -23.4142   -6.7637   34.0233  C     
20   C       -24.1558   -7.4866   32.8500  C     
21   C       -24.3840   -9.0335   33.0124  C     
22   C       -25.3931   -9.5739   31.9601  C     
23   C       -23.0693   -9.8558   32.9414  C     
24   N       -24.0494   -7.0937   35.2739  N     
25   C       -23.5487   -7.7481   36.3141  C     
26   O       -22.3913   -8.1425   36.3115  O     
27   C       -24.3163   -7.9848   37.4441  C     
28   C       -25.6502   -7.6233   37.6641  C     
29   O       -23.8594   -8.6218   38.5592  O     
30   C       -24.8635   -8.6697   39.4670  C     
31   C       -25.9933   -8.0450   38.9397  C     
32   C       -27.1847   -7.9472   39.6830  C     
33   C       -27.2163   -8.4976   40.9829  C     
34   C       -26.0730   -9.1335   41.5172  C     
35   C       -24.8855   -9.2225   40.7597  C     
36   C       -22.4129   -2.5054   34.7626  C     
37   C       -21.3791   -2.8624   35.8951  C     
38   C       -20.9815   -1.6062   36.7322  C     
39   H       -23.0990   -2.7856   32.7624  H     
40   H       -20.4722   -4.7270   35.2883  H     
41   H       -19.4372   -3.7481   36.3157  H     
42   H       -19.0532   -2.0368   32.6473  H     
43   H       -20.0410   -1.3999   33.8907  H     
44   H       -19.2385   -4.6312   29.3239  H     
45   H       -15.6923   -5.4116   32.5259  H     
46   H       -15.3405   -5.9359   30.1829  H     
47   H       -17.0915   -5.5096   28.5442  H     
48   H       -21.6469   -5.1367   33.0585  H     
49   H       -22.3719   -7.1035   34.0112  H     
50   H       -25.1358   -7.0106   32.7317  H     
51   H       -23.6030   -7.3101   31.9231  H     
52   H       -24.8364   -9.2202   33.9910  H     
53   H       -26.3396   -9.0335   32.0319  H     
54   H       -25.6029  -10.6328   32.1347  H     
55   H       -24.9982   -9.4601   30.9484  H     
56   H       -22.5827   -9.7194   31.9746  H     
57   H       -23.2747  -10.9212   33.0773  H     
58   H       -22.3819   -9.5491   33.7299  H     
59   H       -24.9798   -6.8195   35.3494  H     
60   H       -26.2665   -7.1448   37.0097  H     
61   H       -28.0118   -7.4939   39.2895  H     
62   H       -28.0730   -8.4421   41.5391  H     
63   H       -26.1071   -9.5326   42.4589  H     
64   H       -24.0549   -9.6769   41.1436  H     
65   H       -22.4163   -1.4261   34.6018  H     
66   H       -23.4068   -2.7369   35.1364  H     
67   H       -21.9150   -3.5099   36.6008  H     
68   H       -20.4325   -1.9068   37.6248  H     
69   H       -21.8775   -1.0741   37.0486  H     
70   H       -20.3582   -0.9273   36.1538  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1    5 2
     4    2   16 1
     5    2   36 1
     6    3    6 1
     7    3   37 1
     8    4    6 1
     9    6   13 1
    10    7    9 2
    11    7   12 1
    12    7   13 1
    13    8   11 1
    14    8   12 2
    15    9   10 1
    16   10   11 2
    17   13   14 2
    18   13   15 2
    19   16   17 am
    20   17   18 2
    21   17   19 1
    22   19   20 1
    23   19   24 1
    24   20   21 1
    25   21   22 1
    26   21   23 1
    27   24   25 am
    28   25   26 2
    29   25   27 1
    30   27   28 2
    31   27   29 1
    32   28   31 1
    33   29   30 1
    34   30   31 2
    35   30   35 1
    36   31   32 1
    37   32   33 2
    38   33   34 1
    39   34   35 2
    40   36   37 1
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    8   44 1
    48    9   45 1
    49   10   46 1
    50   11   47 1
    51   16   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   22   53 1
    57   22   54 1
    58   22   55 1
    59   23   56 1
    60   23   57 1
    61   23   58 1
    62   24   59 1
    63   28   60 1
    64   32   61 1
    65   33   62 1
    66   34   63 1
    67   35   64 1
    68   36   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3482
  Crash		| -2.3283
  Polar		| 2.1251
  FragIndex	| 1
  FragRMSD	| 0.449