@<TRIPOS>MOLECULE
BindingDB_14290
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.0304   20.8142   76.9111  C     
2    C        16.7934   20.1390   77.0025  C     
3    C        17.8200   21.5863   79.2286  C     
4    C        16.5861   20.9198   79.2998  C     
5    C        16.0849   20.2098   78.2101  C     
6    C        14.7386   19.9792   79.8888  C     
7    N        14.9330   19.6551   78.5957  N     
8    N        15.7406   20.7786   80.3213  N     
9    C        13.6369   19.5615   80.7630  C     
10   C        14.0702   18.5248   81.8636  C     
11   C        15.4637   17.9830   81.8641  C     
12   C        16.4424   18.4695   82.7664  C     
13   C        15.8217   16.9025   81.0288  C     
14   C        17.1335   16.3828   81.0364  C     
15   C        18.1217   16.8863   81.9220  C     
16   C        17.7409   17.9207   82.8069  C     
17   C        19.5135   16.3338   81.9108  C     
18   C        20.6741   17.3395   82.1804  C     
19   S        19.8421   14.9835   83.0681  S     
20   O        19.7871   13.5901   82.3025  O     
21   O        19.1260   15.0624   84.4960  O     
22   N        21.4509   15.4098   83.2706  N     
23   C        21.7511   16.5941   82.7959  C     
24   O        22.8852   17.0457   82.9256  O     
25   N        12.4936   19.0929   80.0222  N     
26   C        11.2139   19.3442   80.3836  C     
27   C         8.6986   19.5441   80.6152  C     
28   C         9.4621   20.1572   81.6195  C     
29   C         7.2980   19.5822   80.6165  C     
30   C         6.6501   20.2755   81.6620  C     
31   C         7.4049   20.8974   82.6845  C     
32   N        10.8048   20.0349   81.4759  N     
33   S         9.8144   18.8275   79.5205  S     
34   C         8.8143   20.8366   82.6666  C     
35   C        18.5414   21.5316   78.0182  C     
36   Cl       20.0581   22.2833   77.9117  Cl    
37   H        18.5688   20.7521   76.0447  H     
38   H        16.4310   19.5941   76.2200  H     
39   H        18.1817   22.0863   80.0431  H     
40   H        14.3728   19.0785   78.0536  H     
41   H        13.3448   20.4811   81.2781  H     
42   H        13.8790   18.9916   82.8364  H     
43   H        13.4102   17.6603   81.8184  H     
44   H        16.2194   19.2319   83.4106  H     
45   H        15.1290   16.4947   80.3959  H     
46   H        17.3555   15.6170   80.3960  H     
47   H        18.4076   18.2761   83.4958  H     
48   H        19.7088   15.8992   80.9219  H     
49   H        21.0043   17.7824   81.2369  H     
50   H        20.3761   18.1457   82.8557  H     
51   H        22.1097   14.8229   83.6810  H     
52   H        12.6386   18.5581   79.2242  H     
53   H         6.7583   19.1234   79.8830  H     
54   H         5.6268   20.3282   81.6818  H     
55   H         6.9245   21.3937   83.4386  H     
56   H         9.3571   21.2865   83.4063  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   35 2
     3    2    5 2
     4    3    4 2
     5    3   35 1
     6    4    5 1
     7    4    8 1
     8    5    7 1
     9    6    7 1
    10    6    8 2
    11    6    9 1
    12    9   10 1
    13    9   25 1
    14   10   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 1
    23   17   19 1
    24   18   23 1
    25   19   20 2
    26   19   21 2
    27   19   22 1
    28   22   23 1
    29   23   24 2
    30   25   26 1
    31   26   32 2
    32   26   33 1
    33   27   28 2
    34   27   29 1
    35   27   33 1
    36   28   32 1
    37   28   34 1
    38   29   30 2
    39   30   31 1
    40   31   34 2
    41   35   36 1
    42    1   37 1
    43    2   38 1
    44    3   39 1
    45    7   40 1
    46    9   41 1
    47   10   42 1
    48   10   43 1
    49   12   44 1
    50   13   45 1
    51   14   46 1
    52   16   47 1
    53   17   48 1
    54   18   49 1
    55   18   50 1
    56   22   51 1
    57   25   52 1
    58   29   53 1
    59   30   54 1
    60   31   55 1
    61   34   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0778
  Crash		| -2.5675
  Polar		| 5.5149
  FragIndex	| 1
  FragRMSD	| 1.373