@<TRIPOS>MOLECULE
BindingDB_19774
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -20.5431   -3.6113   32.7610  C     
2    C       -21.8003   -3.6770   33.5057  C     
3    C       -19.6578   -1.5994   35.1358  C     
4    C       -19.2524   -3.2356   33.3220  C     
5    O       -20.5828   -3.8574   31.5607  O     
6    N       -19.2280   -1.8779   33.7930  N     
7    C       -19.9333    0.9013   32.9682  C     
8    C       -20.8300    2.3400   34.6566  C     
9    C       -19.8915    1.9693   32.0423  C     
10   C       -20.3712    3.2359   32.4517  C     
11   C       -20.8212    3.4349   33.7713  C     
12   N       -20.4263    1.0950   34.2197  N     
13   S       -19.2022   -0.6423   32.6223  S     
14   O       -17.6746   -0.3275   32.3117  O     
15   O       -19.8809   -1.1190   31.2601  O     
16   N       -22.2104   -5.0614   33.5354  N     
17   C       -23.3530   -5.5742   33.9841  C     
18   O       -24.2996   -4.8416   34.2768  O     
19   C       -23.5027   -7.0224   34.1429  C     
20   C       -24.3026   -7.6315   32.9523  C     
21   C       -24.5342   -9.1779   33.0056  C     
22   C       -25.5281   -9.6030   31.8917  C     
23   C       -23.2155   -9.9897   32.8761  C     
24   N       -24.1780   -7.3166   35.3874  N     
25   C       -23.6901   -7.8996   36.4786  C     
26   O       -22.5156   -8.2516   36.5320  O     
27   C       -24.4736   -8.1078   37.6061  C     
28   C       -25.8258   -7.7846   37.7644  C     
29   O       -24.0324   -8.6470   38.7789  O     
30   C       -25.0588   -8.6632   39.6673  C     
31   C       -26.1888   -8.1176   39.0597  C     
32   C       -27.4077   -7.9984   39.7521  C     
33   C       -27.4740   -8.4538   41.0866  C     
34   C       -26.3339   -9.0111   41.7077  C     
35   C       -25.1159   -9.1162   41.0003  C     
36   C       -21.7804   -3.1167   34.9644  C     
37   C       -21.2284   -1.6572   35.1628  C     
38   C       -21.8393   -1.0106   36.4322  C     
39   H       -22.5367   -3.0890   32.9432  H     
40   H       -19.2475   -2.3140   35.8527  H     
41   H       -19.2033   -0.6168   35.4264  H     
42   H       -19.0129   -3.9363   34.1256  H     
43   H       -18.4624   -3.3506   32.5747  H     
44   H       -21.0812    2.4674   35.6428  H     
45   H       -19.5028    1.8410   31.1011  H     
46   H       -20.3687    4.0095   31.7832  H     
47   H       -21.1351    4.3662   34.0833  H     
48   H       -21.5577   -5.6974   33.1979  H     
49   H       -22.5082   -7.4801   34.1349  H     
50   H       -25.2811   -7.1386   32.9185  H     
51   H       -23.7829   -7.3909   32.0173  H     
52   H       -24.9979   -9.4369   33.9658  H     
53   H       -26.4739   -9.0711   32.0073  H     
54   H       -25.7391  -10.6708   31.9552  H     
55   H       -25.1210   -9.3808   30.9021  H     
56   H       -22.6855   -9.7258   31.9572  H     
57   H       -23.4285  -11.0606   32.8612  H     
58   H       -22.5598   -9.7974   33.7259  H     
59   H       -25.1213   -7.0824   35.4129  H     
60   H       -26.4385   -7.3745   37.0632  H     
61   H       -28.2305   -7.5956   39.2984  H     
62   H       -28.3526   -8.3821   41.6055  H     
63   H       -26.3944   -9.3410   42.6749  H     
64   H       -24.2904   -9.5161   41.4504  H     
65   H       -22.8177   -3.1522   35.3040  H     
66   H       -21.2216   -3.8052   35.6016  H     
67   H       -21.6049   -1.0492   34.3344  H     
68   H       -21.5659   -1.5710   37.3282  H     
69   H       -22.9297   -1.0018   36.3404  H     
70   H       -21.5102    0.0260   36.5371  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	| 6.3542
  Crash		| -1.9729
  Polar		| 1.7735
  FragIndex	| 1
  FragRMSD	| 0.730