@<TRIPOS>MOLECULE
BindingDB_14011
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0121  136.7615   -1.3389  C     
2    C        18.0069  137.2124   -3.3415  C     
3    C        18.9148  137.7846   -2.2299  C     
4    N        16.8761  136.6951   -2.6499  N     
5    O        16.1299  136.4352   -0.5513  O     
6    O        16.3747  131.5313   -2.3127  O     
7    C        18.2397  137.3741   -0.8924  C     
8    N        19.1169  136.5638    0.0359  N     
9    C        19.5069  135.1950   -0.4513  C     
10   C        20.7392  134.6572    0.1849  C     
11   C        22.2775  133.4165    1.0839  C     
12   C        21.9169  135.3910    0.3441  C     
13   C        17.7462  131.5786   -2.2137  C     
14   C        18.2658  131.7843   -0.9246  C     
15   C        20.0366  131.4525   -3.0781  C     
16   C        20.5378  131.6773   -1.7804  C     
17   C        19.6525  131.8916   -0.6956  C     
18   C        20.1563  132.2496    0.6570  C     
19   N        21.0000  133.4140    0.6420  N     
20   N        22.8464  134.6135    0.9094  N     
21   C        18.6396  131.4246   -3.3102  C     
22   C        18.1926  131.2881   -4.5227  C     
23   N        17.7867  131.1500   -5.6018  N     
24   C        15.7090  132.5656   -2.8740  C     
25   C        16.0830  133.8620   -2.7542  C     
26   C        13.7426  133.1974   -4.0356  C     
27   C        14.5324  132.2437   -3.5039  C     
28   C        14.1180  134.5424   -3.9882  C     
29   C        15.3332  134.9012   -3.3280  C     
30   C        15.7448  136.2634   -3.2999  C     
31   C        14.9431  137.2323   -3.9481  C     
32   C        13.7534  136.8744   -4.6020  C     
33   C        13.3336  135.5379   -4.6135  C     
34   C        18.5955  136.5257    1.4394  C     
35   H        17.7236  138.0055   -4.0393  H     
36   H        18.5055  136.4078   -3.8884  H     
37   H        19.9388  137.4119   -2.3122  H     
38   H        18.9513  138.8763   -2.3097  H     
39   H        17.9640  138.3041   -0.3803  H     
40   H        19.9878  137.0959    0.0934  H     
41   H        18.6768  134.5054   -0.2934  H     
42   H        19.7084  135.2138   -1.5224  H     
43   H        22.7664  132.6241    1.4944  H     
44   H        22.0544  136.3637    0.0751  H     
45   H        17.6185  131.9236   -0.1468  H     
46   H        20.7030  131.3166   -3.8512  H     
47   H        21.5505  131.7109   -1.6304  H     
48   H        19.3383  132.4692    1.3494  H     
49   H        20.6886  131.3801    1.0569  H     
50   H        16.9135  134.0815   -2.2528  H     
51   H        12.8917  132.9237   -4.4710  H     
52   H        14.2518  131.2885   -3.5616  H     
53   H        15.2293  138.2117   -3.9565  H     
54   H        13.1974  137.5890   -5.0780  H     
55   H        12.4678  135.2903   -5.1008  H     
56   H        18.4050  137.5350    1.8150  H     
57   H        19.3272  136.0689    2.1104  H     
58   H        17.6687  135.9500    1.5054  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    3 1
     5    2    4 1
     6    3    7 1
     7    4   30 1
     8    6   13 1
     9    6   24 1
    10    7    8 1
    11    8    9 1
    12    8   34 1
    13    9   10 1
    14   10   12 2
    15   10   19 1
    16   11   19 1
    17   11   20 2
    18   12   20 1
    19   13   14 1
    20   13   21 2
    21   14   17 2
    22   15   16 2
    23   15   21 1
    24   16   17 1
    25   17   18 1
    26   18   19 1
    27   21   22 1
    28   22   23 3
    29   24   25 2
    30   24   27 1
    31   25   29 1
    32   26   27 2
    33   26   28 1
    34   28   29 1
    35   28   33 2
    36   29   30 2
    37   30   31 1
    38   31   32 2
    39   32   33 1
    40    2   35 1
    41    2   36 1
    42    3   37 1
    43    3   38 1
    44    7   39 1
    45    8   40 1
    46    9   41 1
    47    9   42 1
    48   11   43 1
    49   12   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   25   50 1
    56   26   51 1
    57   27   52 1
    58   31   53 1
    59   32   54 1
    60   33   55 1
    61   34   56 1
    62   34   57 1
    63   34   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2604
  Crash		| -0.4486
  Polar		| 1.2736
  FragIndex	| 1
  FragRMSD	| 1.244