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


@<TRIPOS>ATOM
1    C        31.6651  -34.7640   -1.9249  C     
2    C        32.8752  -35.1615   -1.2073  C     
3    C        31.7065  -32.1209   -0.3355  C     
4    C        31.4939  -33.4275   -2.4564  C     
5    O        30.6784  -35.5035   -1.9180  O     
6    N        30.9030  -32.5958   -1.4386  N     
7    C        29.2725  -30.3548   -2.0778  C     
8    C        29.4118  -28.7569   -3.8472  C     
9    C        29.1623  -29.3215   -1.1256  C     
10   C        29.1788  -27.9832   -1.5627  C     
11   C        29.3074  -27.6940   -2.9326  C     
12   N        29.3972  -30.0363   -3.3937  N     
13   S        29.3151  -32.0297   -1.6211  S     
14   O        28.5037  -32.9086   -2.6691  O     
15   O        28.5207  -32.2905   -0.2647  O     
16   N        33.9227  -35.3416   -2.1769  N     
17   C        34.7311  -36.3807   -2.3558  C     
18   O        34.6116  -37.3996   -1.6884  O     
19   C        35.7275  -36.3324   -3.4292  C     
20   C        35.1202  -36.8463   -4.7755  C     
21   C        36.0430  -36.8069   -6.0447  C     
22   C        36.9656  -35.5505   -6.1388  C     
23   C        36.8712  -38.1148   -6.2463  C     
24   N        36.9057  -37.0687   -3.0553  N     
25   C        38.0781  -36.5600   -2.6788  C     
26   O        38.2403  -35.3501   -2.5882  O     
27   C        39.1259  -37.4050   -2.3693  C     
28   C        40.4020  -37.0137   -1.9451  C     
29   O        39.0775  -38.7653   -2.4147  O     
30   C        40.2836  -39.2404   -2.0203  C     
31   C        41.1281  -38.1701   -1.7203  C     
32   C        42.4428  -38.3818   -1.2698  C     
33   C        42.8962  -39.7060   -1.1191  C     
34   C        42.0463  -40.7939   -1.4206  C     
35   C        40.7293  -40.5640   -1.8800  C     
36   C        33.3642  -34.1262   -0.1341  C     
37   C        32.3097  -33.2230    0.5912  C     
38   C        31.2114  -34.0147    1.3506  C     
39   H        32.6723  -36.1093   -0.6871  H     
40   H        32.5238  -31.5208   -0.7546  H     
41   H        31.1374  -31.4356    0.2939  H     
42   H        32.4590  -33.0129   -2.7565  H     
43   H        30.8981  -33.4761   -3.3649  H     
44   H        29.5038  -28.5738   -4.8496  H     
45   H        29.0701  -29.5298   -0.1300  H     
46   H        29.0974  -27.2228   -0.8857  H     
47   H        29.3237  -26.7245   -3.2578  H     
48   H        34.0594  -34.5951   -2.7803  H     
49   H        35.9851  -35.2837   -3.6064  H     
50   H        34.7497  -37.8650   -4.6263  H     
51   H        34.2403  -36.2198   -4.9892  H     
52   H        35.3656  -36.7449   -6.9092  H     
53   H        36.3956  -34.6416   -5.9137  H     
54   H        37.3777  -35.4545   -7.1433  H     
55   H        37.7952  -35.6275   -5.4280  H     
56   H        37.5493  -38.2801   -5.4077  H     
57   H        37.4565  -38.0473   -7.1646  H     
58   H        36.1961  -38.9747   -6.3275  H     
59   H        36.8432  -38.0414   -3.0985  H     
60   H        40.7319  -36.0576   -1.8154  H     
61   H        43.0524  -37.5885   -1.0496  H     
62   H        43.8458  -39.8824   -0.7944  H     
63   H        42.3843  -41.7500   -1.3121  H     
64   H        40.1104  -41.3465   -2.1086  H     
65   H        33.9236  -34.6776    0.6241  H     
66   H        34.0842  -33.4455   -0.5954  H     
67   H        32.8681  -32.6829    1.3585  H     
68   H        30.6023  -33.3337    1.9447  H     
69   H        31.6603  -34.7456    2.0231  H     
70   H        30.5507  -34.5407    0.6593  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	| 8.2745
  Crash		| -1.7985
  Polar		| 4.2441
  FragIndex	| 1
  FragRMSD	| 1.055