@<TRIPOS>MOLECULE
BindingDB_11431
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.7382   29.1850   28.9308  C     
2    C        25.4651   28.0554   28.7646  C     
3    C        26.5718   28.1078   27.9160  C     
4    C        26.5193   30.4536   28.0671  C     
5    C        26.8699   31.7826   27.9484  C     
6    C        25.8373   32.4736   28.5633  C     
7    N        23.4399   29.0959   29.2344  N     
8    C        22.5609   28.1217   28.8387  C     
9    C        22.7864   27.1766   27.7936  C     
10   C        21.3696   28.0251   29.5847  C     
11   C        20.4734   26.9608   29.3799  C     
12   C        20.7255   25.9944   28.3905  C     
13   C        21.8679   26.1333   27.5747  C     
14   S        19.6167   24.6659   28.1684  S     
15   O        18.7539   24.3927   29.4773  O     
16   O        18.5889   25.2640   27.1139  O     
17   N        20.3241   23.2361   27.5915  N     
18   C        19.6710   22.5207   26.5345  C     
19   C        21.2184   22.5333   28.4663  C     
20   N        25.3296   30.3818   28.7051  N     
21   N        27.1091   29.3248   27.5914  N     
22   N        24.9242   31.5839   28.9982  N     
23   N        26.9038   26.9785   27.2373  N     
24   C        27.5363   26.9968   25.9517  C     
25   C        26.6982   27.8439   24.9406  C     
26   C        27.7406   25.5633   25.3862  C     
27   C        28.4589   25.6257   24.0107  C     
28   C        27.6536   26.4697   22.9840  C     
29   C        27.3380   27.8880   23.5309  C     
30   N        28.3886   26.5847   21.7151  N     
31   Cl       28.2478   32.4085   27.1980  Cl    
32   H        25.0411   27.1890   29.0352  H     
33   H        25.7804   33.4871   28.6724  H     
34   H        23.0936   29.7749   29.8343  H     
35   H        23.6541   27.1905   27.2158  H     
36   H        21.1813   28.6857   30.3436  H     
37   H        19.6521   26.8800   29.9818  H     
38   H        22.0662   25.4506   26.8407  H     
39   H        18.7869   22.0136   26.9247  H     
40   H        20.3293   21.7764   26.0854  H     
41   H        19.3723   23.1975   25.7336  H     
42   H        21.8729   23.2226   29.0043  H     
43   H        21.8594   21.8546   27.9023  H     
44   H        20.6522   21.9553   29.1966  H     
45   H        26.4716   26.1519   27.5117  H     
46   H        28.5236   27.4475   26.0686  H     
47   H        25.6906   27.4257   24.8625  H     
48   H        26.6015   28.8720   25.2966  H     
49   H        28.3384   24.9641   26.0762  H     
50   H        26.7709   25.0691   25.2727  H     
51   H        29.4569   26.0593   24.1393  H     
52   H        28.5748   24.6139   23.6217  H     
53   H        26.7124   25.9521   22.7720  H     
54   H        26.6434   28.3866   22.8471  H     
55   H        28.2562   28.4861   23.5747  H     
56   H        29.2184   27.1745   21.8410  H     
57   H        27.7727   27.0049   21.0145  H     
58   H        28.6637   25.6557   21.3927  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   31 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   30 1
    35    2   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   13   38 1
    42   18   39 1
    43   18   40 1
    44   18   41 1
    45   19   42 1
    46   19   43 1
    47   19   44 1
    48   23   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   26   49 1
    53   26   50 1
    54   27   51 1
    55   27   52 1
    56   28   53 1
    57   29   54 1
    58   29   55 1
    59   30   56 1
    60   30   57 1
    61   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6073
  Crash		| -2.7840
  Polar		| 5.3018
  FragIndex	| 1
  FragRMSD	| 0.566