@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2233   18.6798   -3.8060  C     
2    C        14.4390   17.8601   -6.0025  C     
3    O        14.8080   17.5120   -7.1081  O     
4    C        13.0207   17.7506   -5.7268  C     
5    C        11.9717   18.0730   -6.7891  C     
6    C        10.6082   17.6035   -6.6260  C     
7    O        10.4214   16.4091   -6.8363  O     
8    N         9.6206   18.4474   -6.3363  N     
9    C         8.2220   18.1190   -6.1951  C     
10   C         7.4175   18.9164   -7.1463  C     
11   O         7.5059   20.1320   -7.0114  O     
12   C         7.7368   18.2316   -4.6997  C     
13   C         8.6102   17.3560   -3.7579  C     
14   O        12.4003   19.0485   -5.8289  O     
15   N        15.3751   18.3027   -5.1729  N     
16   C         7.6169   19.6950   -4.1138  C     
17   C         6.1504   20.2014   -4.0245  C     
18   C         5.4015   16.9953   -9.5718  C     
19   C         6.4427   17.0489   -8.4357  C     
20   C         5.8637   19.2911   -9.0178  C     
21   C         5.5123   18.3813  -10.2167  C     
22   N         6.6207   18.4415   -8.1211  N     
23   C         4.6659   19.8882   -8.3692  C     
24   O         4.3383   19.5865   -7.0767  O     
25   O         3.9108   20.7663   -9.1012  O     
26   C         2.7997   21.5316   -8.6096  C     
27   C        15.4674   20.1894   -3.5792  C     
28   C        14.7845   21.0815   -4.6436  C     
29   H        14.2401   18.4072   -3.4035  H     
30   H        15.9664   18.1194   -3.2348  H     
31   H        12.6985   17.2178   -4.8342  H     
32   H        12.3454   18.2272   -7.8044  H     
33   H         9.8623   19.3731   -6.1874  H     
34   H         8.0815   17.0643   -6.4482  H     
35   H         6.7451   17.7803   -4.6705  H     
36   H         8.6620   16.3254   -4.1227  H     
37   H         8.1697   17.3385   -2.7590  H     
38   H         9.6282   17.7440   -3.6705  H     
39   H        16.2782   18.3549   -5.5361  H     
40   H         8.0273   19.7571   -3.0930  H     
41   H         8.1908   20.4032   -4.7199  H     
42   H         5.6452   20.0864   -4.9922  H     
43   H         6.1369   21.2640   -3.7535  H     
44   H         5.6003   19.6373   -3.2597  H     
45   H         5.6053   16.1966  -10.2894  H     
46   H         4.3957   16.8633   -9.1599  H     
47   H         6.0691   16.4936   -7.5760  H     
48   H         7.3862   16.6177   -8.7767  H     
49   H         6.4878   20.1115   -9.3911  H     
50   H         6.3368   18.3866  -10.9387  H     
51   H         4.5892   18.6715  -10.7386  H     
52   H         1.8709   21.0429   -8.9147  H     
53   H         2.8203   21.6504   -7.5168  H     
54   H         2.8377   22.5266   -9.0580  H     
55   H        15.0851   20.4608   -2.5993  H     
56   H        16.5411   20.3897   -3.5861  H     
57   H        15.2229   20.9177   -5.6334  H     
58   H        14.9089   22.1359   -4.3742  H     
59   H        13.7139   20.8596   -4.6942  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 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   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7777
  Crash		| -3.7542
  Polar		| 3.0768
  FragIndex	| 1
  FragRMSD	| 1.042