@<TRIPOS>MOLECULE
BindingDB_22424
 62 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.4752   35.5221   55.3024  C     
2    C        60.8119   35.7695   56.6481  C     
3    C        59.9119   35.4564   57.6863  C     
4    C        58.6552   34.8667   57.4033  C     
5    C        58.3629   34.5385   56.0545  C     
6    C        59.2631   34.8609   55.0222  C     
7    O        61.3630   35.8147   54.2939  O     
8    C        60.8774   36.6267   53.2050  C     
9    C        62.0438   36.8631   52.2012  C     
10   N        62.3163   35.8179   51.1481  N     
11   C        63.7019   35.9047   50.5966  C     
12   C        61.9487   34.4136   51.4801  C     
13   C        57.6954   34.6460   58.4097  C     
14   C        57.9212   33.8727   59.5100  C     
15   C        59.0906   33.0983   59.5759  C     
16   C        60.4049   31.2235   58.6839  C     
17   C        59.2061   31.9633   58.7291  C     
18   C        60.1995   33.4668   60.3746  C     
19   C        61.3951   32.7184   60.3367  C     
20   C        61.4972   31.6014   59.4898  C     
21   C        56.9355   33.6285   60.5817  C     
22   C        56.4897   35.2911   58.1720  C     
23   C        56.2184   36.5598   58.7587  C     
24   C        55.0072   37.2148   58.5121  C     
25   C        54.0680   36.6615   57.6143  C     
26   C        54.3531   35.4284   56.9814  C     
27   C        55.5347   34.7353   57.2860  C     
28   O        52.9404   37.3412   57.3075  O     
29   C        57.2263   34.3549   61.9293  C     
30   C        57.4795   35.8774   61.8229  C     
31   Cl       58.7002   36.3166   60.6351  Cl    
32   H        61.7054   36.2239   56.8681  H     
33   H        60.1677   35.7072   58.6475  H     
34   H        57.4930   34.0684   55.8120  H     
35   H        59.0183   34.6314   54.0624  H     
36   H        60.0434   36.1553   52.6809  H     
37   H        60.5415   37.5850   53.6103  H     
38   H        61.8389   37.7950   51.6749  H     
39   H        62.9438   37.0471   52.8000  H     
40   H        61.7195   36.0508   50.3518  H     
41   H        63.9860   36.9402   50.3784  H     
42   H        63.7630   35.3434   49.6614  H     
43   H        64.4309   35.4857   51.2957  H     
44   H        62.5280   34.0530   52.3337  H     
45   H        62.1313   33.7591   50.6217  H     
46   H        60.8856   34.3470   51.7112  H     
47   H        60.4828   30.4231   58.0521  H     
48   H        58.4322   31.6858   58.1196  H     
49   H        60.1676   34.2990   60.9674  H     
50   H        62.1928   32.9988   60.9139  H     
51   H        62.3727   31.0627   59.4553  H     
52   H        55.9240   33.9025   60.2790  H     
53   H        56.8960   32.5535   60.7823  H     
54   H        56.9244   37.0282   59.3316  H     
55   H        54.8084   38.1185   58.9416  H     
56   H        53.6946   35.0291   56.3012  H     
57   H        55.7176   33.8371   56.8413  H     
58   H        52.8956   37.3808   56.3217  H     
59   H        56.3699   34.2187   62.5896  H     
60   H        58.0714   33.8844   62.4199  H     
61   H        56.5486   36.4053   61.5926  H     
62   H        57.8537   36.2289   62.7860  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   13 1
     8    5    6 2
     9    7    8 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 1
    14   13   14 2
    15   13   22 1
    16   14   15 1
    17   14   21 1
    18   15   17 2
    19   15   18 1
    20   16   17 1
    21   16   20 2
    22   18   19 2
    23   19   20 1
    24   21   29 1
    25   22   23 1
    26   22   27 2
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30   25   28 1
    31   26   27 1
    32   29   30 1
    33   30   31 1
    34    2   32 1
    35    3   33 1
    36    5   34 1
    37    6   35 1
    38    8   36 1
    39    8   37 1
    40    9   38 1
    41    9   39 1
    42   10   40 1
    43   11   41 1
    44   11   42 1
    45   11   43 1
    46   12   44 1
    47   12   45 1
    48   12   46 1
    49   16   47 1
    50   17   48 1
    51   18   49 1
    52   19   50 1
    53   20   51 1
    54   21   52 1
    55   21   53 1
    56   23   54 1
    57   24   55 1
    58   26   56 1
    59   27   57 1
    60   28   58 1
    61   29   59 1
    62   29   60 1
    63   30   61 1
    64   30   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4010
  Crash		| -7.7512
  Polar		| 3.2433
  FragIndex	| 1
  FragRMSD	| 1.347