@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.7748   18.8729   -8.3082  C     
2    C        10.2333   18.8895   -8.0958  C     
3    O        10.4205   19.5688   -9.0984  O     
4    C        11.3640   18.5000   -7.3028  C     
5    C        12.5905   17.8483   -7.9145  C     
6    C        13.8506   17.9435   -7.2182  C     
7    O        14.8321   18.3127   -7.8560  O     
8    N        13.9450   17.6783   -5.9165  N     
9    C        15.1451   17.6150   -5.1222  C     
10   C        15.1766   16.2432   -4.5730  C     
11   O        14.0962   15.7854   -4.2113  O     
12   C        15.1860   18.7255   -4.0038  C     
13   C        16.5007   18.6047   -3.1703  C     
14   O        11.5530   17.0684   -7.2982  O     
15   N         9.0194   18.5532   -7.6799  N     
16   C         7.4412   18.0140   -9.4754  C     
17   C         6.6397   18.5377  -10.5150  C     
18   C         7.8338   16.6539   -9.5475  C     
19   C         7.4443   15.8519  -10.6345  C     
20   C         6.6544   16.3908  -11.6680  C     
21   C         6.2434   17.7327  -11.5955  C     
22   C        15.0159   20.1677   -4.5900  C     
23   C        15.3342   21.3146   -3.6004  C     
24   C        18.4951   14.6107   -4.5632  C     
25   C        17.5757   15.8005   -4.9195  C     
26   C        16.2138   14.1044   -3.9033  C     
27   C        17.5134   13.4374   -4.4314  C     
28   N        16.2586   15.4482   -4.4591  N     
29   C        16.1145   14.0727   -2.4133  C     
30   O        16.0887   12.8836   -1.7655  O     
31   O        15.9086   15.2143   -1.6983  O     
32   H         6.9915   18.7205   -7.5624  H     
33   H         7.7743   19.9381   -8.5773  H     
34   H        11.4349   18.8964   -6.2953  H     
35   H        12.5975   17.7506   -9.0031  H     
36   H        13.1062   17.4972   -5.4494  H     
37   H        16.0172   17.7793   -5.7607  H     
38   H        14.3486   18.5535   -3.3219  H     
39   H        16.6280   17.5954   -2.7559  H     
40   H        16.4916   19.2978   -2.3229  H     
41   H        17.3734   18.8325   -3.7925  H     
42   H         8.9777   18.0841   -6.8310  H     
43   H         6.3147   19.5096  -10.4775  H     
44   H         8.3950   16.2345   -8.7962  H     
45   H         7.7440   14.8696  -10.6870  H     
46   H         6.3683   15.8093  -12.4552  H     
47   H         5.6539   18.1267  -12.3300  H     
48   H        15.6507   20.2780   -5.4776  H     
49   H        13.9769   20.2954   -4.8984  H     
50   H        14.8240   21.1678   -2.6416  H     
51   H        14.9953   22.2585   -4.0339  H     
52   H        16.4117   21.3881   -3.4303  H     
53   H        19.2468   14.4215   -5.3436  H     
54   H        19.0003   14.7885   -3.6028  H     
55   H        17.9451   16.7127   -4.4300  H     
56   H        17.5616   15.9431   -6.0098  H     
57   H        15.3661   13.5368   -4.3128  H     
58   H        17.3317   13.0065   -5.4283  H     
59   H        17.9146   12.6544   -3.7743  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6297
  Crash		| -1.7948
  Polar		| 3.0117
  FragIndex	| 1
  FragRMSD	| 0.215