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


@<TRIPOS>ATOM
1    C        14.7523   20.3907   -4.7631  C     
2    C        16.0484   20.6314   -5.5711  C     
3    O        13.9100   19.3275   -5.2278  O     
4    C        13.9691   18.4927   -6.2993  C     
5    O        15.0171   18.5237   -7.1575  O     
6    C        12.8517   17.5688   -6.5652  C     
7    C        11.4893   18.2487   -6.4926  C     
8    C        10.3996   17.8174   -7.3304  C     
9    O        10.4792   18.0189   -8.5323  O     
10   N         9.3276   17.2916   -6.7539  N     
11   C         8.1293   16.8358   -7.4167  C     
12   C         7.4897   17.8713   -8.2406  C     
13   O         7.8603   19.0340   -8.1820  O     
14   C         7.1097   16.2186   -6.3803  C     
15   C         7.6351   14.9325   -5.7007  C     
16   O        11.9106   17.2550   -5.5368  O     
17   N         6.4568   17.5141   -8.9939  N     
18   C         5.6452   18.3544   -9.8336  C     
19   C         4.7632   19.1927   -8.9811  C     
20   O         4.1313   20.2716   -9.4878  O     
21   O         4.4159   18.7953   -7.7249  O     
22   C         4.8690   17.4507  -10.8718  C     
23   C         3.7625   18.2141  -11.6622  C     
24   O         6.7513   17.1400   -5.3444  O     
25   C         5.8179   16.7408  -11.8992  C     
26   C         6.8782   15.7548  -11.3457  C     
27   H        15.0117   20.1934   -3.7241  H     
28   H        14.1581   21.3072   -4.7954  H     
29   H        16.6823   19.7479   -5.5471  H     
30   H        16.6025   21.4815   -5.1540  H     
31   H        15.7989   20.8546   -6.6108  H     
32   H        12.9310   16.8394   -7.3821  H     
33   H        11.4053   19.2202   -6.0082  H     
34   H         9.3719   17.1667   -5.8009  H     
35   H         8.4537   16.0414   -8.1087  H     
36   H         6.1799   15.9510   -6.8817  H     
37   H         7.8447   14.1661   -6.4518  H     
38   H         6.8843   14.5451   -5.0102  H     
39   H         8.5525   15.1403   -5.1436  H     
40   H         6.2198   16.5793   -8.9749  H     
41   H         6.2956   19.0302  -10.3971  H     
42   H         4.3487   16.6661  -10.3062  H     
43   H         2.9743   18.5664  -10.9941  H     
44   H         3.2931   17.5541  -12.3929  H     
45   H         4.1882   19.0692  -12.1872  H     
46   H         5.9445   16.7562   -4.9169  H     
47   H         5.2092   16.1629  -12.5997  H     
48   H         6.3349   17.5092  -12.4720  H     
49   H         7.6813   16.2917  -10.8450  H     
50   H         7.3151   15.1816  -12.1650  H     
51   H         6.4190   15.0570  -10.6477  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	| 3.5598
  Crash		| -1.9352
  Polar		| 2.6241
  FragIndex	| 1
  FragRMSD	| 0.654