@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.1266   15.6604   -5.4891  C     
2    C        15.4618   16.4203   -5.3325  C     
3    O        13.0663   16.4866   -5.9881  O     
4    C        13.1484   17.4626   -6.9301  C     
5    O        14.3252   17.8001   -7.5112  O     
6    C        11.9476   18.2535   -7.2224  C     
7    C        10.8565   17.6926   -8.1155  C     
8    C         9.5188   18.2206   -7.9845  C     
9    O         9.1400   19.0479   -8.8043  O     
10   N         8.7274   17.7451   -7.0351  N     
11   C         7.3441   18.0469   -6.7406  C     
12   C         6.6812   18.8958   -7.7298  C     
13   O         6.9238   20.0933   -7.7606  O     
14   C         7.2096   18.5980   -5.2835  C     
15   C         7.3160   17.4926   -4.1944  C     
16   O        11.8233   18.6268   -8.6021  O     
17   N         5.9047   18.3299   -8.6522  N     
18   C         5.2447   18.9592   -9.7516  C     
19   C         4.1106   19.7272   -9.1899  C     
20   O         4.1453   21.0736   -9.0961  O     
21   O         3.0394   19.0780   -8.6871  O     
22   C         4.7959   17.8760  -10.8020  C     
23   C         3.7878   18.4558  -11.8363  C     
24   O         8.1854   19.6147   -5.0285  O     
25   C         5.9934   17.2098  -11.5752  C     
26   C         6.7667   16.0912  -10.8381  C     
27   H        14.2645   14.7976   -6.1431  H     
28   H        13.8235   15.2911   -4.5091  H     
29   H        15.8503   16.7185   -6.3087  H     
30   H        16.1982   15.7754   -4.8483  H     
31   H        15.3252   17.3149   -4.7195  H     
32   H        11.6381   19.0264   -6.5153  H     
33   H        10.9975   16.6611   -8.4415  H     
34   H         9.1258   17.0595   -6.4726  H     
35   H         6.8379   17.0786   -6.7432  H     
36   H         6.2257   19.0647   -5.1652  H     
37   H         6.5031   16.7702   -4.3125  H     
38   H         7.2415   17.9330   -3.1976  H     
39   H         8.2694   16.9621   -4.2676  H     
40   H         5.8019   17.3710   -8.5931  H     
41   H         5.9333   19.6522  -10.2501  H     
42   H         4.2669   17.0777  -10.2738  H     
43   H         2.8685   18.7850  -11.3525  H     
44   H         3.5024   17.6977  -12.5703  H     
45   H         4.2257   19.3023  -12.3643  H     
46   H         9.0246   19.1449   -4.8335  H     
47   H         5.6136   16.7461  -12.4915  H     
48   H         6.7021   17.9852  -11.8771  H     
49   H         7.3926   16.5016  -10.0470  H     
50   H         7.4219   15.5716  -11.5422  H     
51   H         6.0739   15.3634  -10.4110  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   16 1
     8    7    8 1
     9    7   16 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0245
  Crash		| -2.7823
  Polar		| 3.7511
  FragIndex	| 1
  FragRMSD	| 1.141