@<TRIPOS>MOLECULE
BindingDB_16497
 37 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5921   17.0552   -4.9699  C     
2    C        17.5338   15.9924   -5.5598  C     
3    O        15.2254   16.7068   -5.2286  O     
4    C        14.4540   17.1292   -6.2639  C     
5    O        14.9361   17.9360   -7.2406  O     
6    C        13.0439   16.7319   -6.3130  C     
7    C        12.0248   17.8458   -6.1935  C     
8    C        10.6847   17.7033   -6.6687  C     
9    O        10.4908   17.1237   -7.7376  O     
10   N         9.7043   18.2665   -5.9746  N     
11   C         8.3014   18.2255   -6.2897  C     
12   C         7.9421   19.1016   -7.4382  C     
13   O         8.7935   19.3635   -8.4553  O     
14   O         6.7347   19.7288   -7.4604  O     
15   C         7.4225   18.4832   -5.0128  C     
16   C         7.8240   17.5451   -3.8401  C     
17   C         7.3499   19.9740   -4.5393  C     
18   C         5.9105   20.4199   -4.1801  C     
19   O        12.3103   16.9539   -5.1072  O     
20   H        16.7343   17.1149   -3.8897  H     
21   H        16.8368   18.0302   -5.3961  H     
22   H        17.3130   15.0150   -5.1119  H     
23   H        18.5742   16.2505   -5.3493  H     
24   H        17.3940   15.9234   -6.6378  H     
25   H        12.7542   15.8198   -6.8378  H     
26   H        12.3811   18.8526   -5.9681  H     
27   H         9.9663   18.7066   -5.1434  H     
28   H         8.0754   17.2129   -6.6226  H     
29   H         6.4121   18.1778   -5.2979  H     
30   H         7.8053   16.5033   -4.1564  H     
31   H         7.1216   17.6482   -3.0142  H     
32   H         8.8214   17.7799   -3.4703  H     
33   H         7.9835   20.1220   -3.6627  H     
34   H         7.7159   20.6468   -5.3176  H     
35   H         5.2530   20.2926   -5.0456  H     
36   H         5.9002   21.4716   -3.8952  H     
37   H         5.5145   19.8316   -3.3495  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   19 1
     8    7    8 1
     9    7   19 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   15 1
    15   12   13 2
    16   12   14 1
    17   15   16 1
    18   15   17 1
    19   17   18 1
    20    1   20 1
    21    1   21 1
    22    2   22 1
    23    2   23 1
    24    2   24 1
    25    6   25 1
    26    7   26 1
    27   10   27 1
    28   11   28 1
    29   15   29 1
    30   16   30 1
    31   16   31 1
    32   16   32 1
    33   17   33 1
    34   17   34 1
    35   18   35 1
    36   18   36 1
    37   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9736
  Crash		| -0.7996
  Polar		| 3.0906
  FragIndex	| 1
  FragRMSD	| 0.583