@<TRIPOS>MOLECULE
BindingDB_11314
 27 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.2747    9.2375   16.6089  C     
2    C        24.1269    7.9640   14.1990  C     
3    C        23.4553    9.1944   14.1568  C     
4    C        23.0298    9.8148   15.3369  C     
5    C        24.3981    7.3375   15.4457  C     
6    C        23.9629    7.9860   16.6364  C     
7    C        25.0881    6.1160   15.5621  C     
8    C        25.4573    5.5997   16.8124  C     
9    C        24.9784    6.2817   17.9585  C     
10   C        25.2888    5.8244   19.2501  C     
11   C        26.0915    4.6854   19.4221  C     
12   C        26.5898    4.0049   18.3007  C     
13   C        26.2758    4.4518   17.0034  C     
14   O        25.3616    5.4768   14.5540  O     
15   O        24.4839    7.4201   13.0089  O     
16   N        22.8584    9.8819   17.7423  N     
17   O        23.0423    9.4184   18.9466  O     
18   O        22.2592   10.9278   17.7226  O     
19   O        26.8055    3.7583   15.9682  O     
20   O        24.1923    7.4012   17.8646  O     
21   H        23.2664    9.6282   13.2513  H     
22   H        22.5346   10.7091   15.2589  H     
23   H        24.9298    6.3202   20.0691  H     
24   H        26.2973    4.3492   20.3658  H     
25   H        27.1719    3.1710   18.4356  H     
26   H        25.1834    8.0107   12.6593  H     
27   H        27.6144    4.2546   15.7307  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   16 am
     4    2    3 2
     5    2    5 1
     6    2   15 1
     7    3    4 1
     8    5    6 2
     9    5    7 1
    10    6   20 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   20 1
    17   10   11 2
    18   11   12 1
    19   12   13 2
    20   13   19 1
    21   16   17 1
    22   16   18 2
    23    3   21 1
    24    4   22 1
    25   10   23 1
    26   11   24 1
    27   12   25 1
    28   15   26 1
    29   19   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7022
  Crash		| -1.3587
  Polar		| 2.1818
  FragIndex	| 1
  FragRMSD	| 0.169

@<TRIPOS>MOLECULE
BindingDB_11317
 25 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.2465    5.9887   19.3246  C     
2    C        26.2278    4.4932   17.1375  C     
3    C        26.4646    4.0750   18.4632  C     
4    C        25.9895    4.8207   19.5486  C     
5    C        25.4323    5.6655   16.8864  C     
6    C        24.9614    6.4041   18.0062  C     
7    C        25.0656    6.1373   15.6206  C     
8    C        24.4122    7.3639   15.4389  C     
9    C        23.9953    8.0503   16.6136  C     
10   C        23.3326    9.2922   16.5340  C     
11   C        23.1055    9.8945   15.2875  C     
12   C        23.5283    9.2413   14.1148  C     
13   C        24.1529    7.9764   14.1792  C     
14   O        25.3683    5.4554   14.6382  O     
15   O        24.4672    7.3573   13.0090  O     
16   O        26.8039    3.7185   16.1752  O     
17   O        24.2086    7.5526   17.8712  O     
18   H        24.9082    6.5415   20.1194  H     
19   H        27.0046    3.2149   18.6458  H     
20   H        26.1826    4.5173   20.5087  H     
21   H        23.0169    9.7681   17.3822  H     
22   H        22.6362   10.8099   15.2370  H     
23   H        23.3621    9.6931   13.2212  H     
24   H        25.1745    7.8818   12.5965  H     
25   H        27.4595    4.3010   15.7057  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   16 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   17 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   17 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20    1   18 1
    21    3   19 1
    22    4   20 1
    23   10   21 1
    24   11   22 1
    25   12   23 1
    26   15   24 1
    27   16   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4353
  Crash		| -0.5010
  Polar		| 1.0958
  FragIndex	| 1
  FragRMSD	| 0.207