@<TRIPOS>MOLECULE
BindingDB_11313
 28 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8995    8.6678    8.9066  C     
2    C        44.2694   10.8400    7.6966  C     
3    C        44.0216   10.8336    9.0750  C     
4    C        43.3484    9.7691    9.6671  C     
5    C        43.8248    9.7638    6.8794  C     
6    C        43.0840    8.6926    7.4862  C     
7    C        42.4939    7.7444    6.6209  C     
8    C        44.0885    9.7285    5.4914  C     
9    C        43.6798    8.6459    4.6920  C     
10   C        42.8839    7.6224    5.2873  C     
11   C        42.4724    6.5089    4.5107  C     
12   C        42.8068    6.4110    3.1543  C     
13   C        43.5664    7.4216    2.5523  C     
14   C        44.0046    8.5289    3.3088  C     
15   O        41.4117    7.2542    6.9303  O     
16   O        44.7114   10.6450    4.9676  O     
17   O        44.9304   11.9288    7.2313  O     
18   N        42.3597    7.6198    9.5967  N     
19   O        42.3494    6.4027    9.1335  O     
20   O        42.0232    7.6921   10.7507  O     
21   O        44.7324    9.4688    2.6467  O     
22   H        44.3428   11.6091    9.6612  H     
23   H        43.2320    9.8012   10.6817  H     
24   H        41.9028    5.7610    4.9252  H     
25   H        42.4945    5.6018    2.6077  H     
26   H        43.8048    7.3504    1.5608  H     
27   H        44.3100   12.3554    6.5954  H     
28   H        45.6222    9.0613    2.5404  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   18 am
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    7   15 2
    13    8    9 1
    14    8   16 2
    15    9   10 2
    16    9   14 1
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   14   21 1
    22   18   19 1
    23   18   20 2
    24    3   22 1
    25    4   23 1
    26   11   24 1
    27   12   25 1
    28   13   26 1
    29   17   27 1
    30   21   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3836
  Crash		| -2.5629
  Polar		| 1.5233
  FragIndex	| 1
  FragRMSD	| 0.482

@<TRIPOS>MOLECULE
BindingDB_11315
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9945    8.7372    3.4661  C     
2    C        42.6173    6.5134    4.5267  C     
3    C        42.8906    6.5917    3.1540  C     
4    C        43.5631    7.6971    2.6278  C     
5    C        43.0045    7.5716    5.4120  C     
6    C        43.7242    8.6998    4.8744  C     
7    C        42.6971    7.5630    6.7979  C     
8    C        43.1335    8.5674    7.6722  C     
9    C        43.8565    9.6846    7.1354  C     
10   C        44.2641   10.7260    8.0200  C     
11   C        43.9632   10.6692    9.3861  C     
12   C        43.2860    9.5790    9.9134  C     
13   C        42.8695    8.5301    9.0785  C     
14   O        42.0425    6.6302    7.2743  O     
15   N        44.6562    9.7249    2.8257  N     
16   O        42.2111    7.4930    9.6599  O     
17   N        41.9917    5.3810    4.9052  N     
18   C        44.1109    9.7319    5.7551  C     
19   O        44.6021   10.7673    5.2943  O     
20   O        44.9481   11.8190    7.6038  O     
21   H        42.6029    5.8419    2.5164  H     
22   H        43.7555    7.7211    1.6167  H     
23   H        44.2606   11.4258   10.0175  H     
24   H        43.0814    9.5540   10.9181  H     
25   H        45.0098   10.4881    3.2980  H     
26   H        44.7954    9.6617    1.8662  H     
27   H        41.6882    7.8639   10.4115  H     
28   H        41.7938    5.2146    5.8310  H     
29   H        41.7789    4.7055    4.2453  H     
30   H        44.3278   12.2919    7.0135  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   15 1
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   10   20 1
    19   11   12 1
    20   12   13 2
    21   13   16 1
    22   18   19 2
    23    3   21 1
    24    4   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   15   26 1
    29   16   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7730
  Crash		| -1.5213
  Polar		| 1.5590
  FragIndex	| 1
  FragRMSD	| 0.222

@<TRIPOS>MOLECULE
BindingDB_11316
 26 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8002    8.4419    9.0887  C     
2    C        44.2253   10.6058    8.0123  C     
3    C        43.9369   10.5587    9.3870  C     
4    C        43.2213    9.4838    9.9266  C     
5    C        43.7928    9.5632    7.1371  C     
6    C        43.0791    8.4578    7.6970  C     
7    C        44.0319    9.5834    5.7483  C     
8    C        43.6581    8.5087    4.9162  C     
9    C        42.9742    7.3940    5.4987  C     
10   C        42.6092    6.2955    4.6770  C     
11   C        42.8978    6.2862    3.3064  C     
12   C        43.5569    7.3819    2.7262  C     
13   C        43.9317    8.4819    3.5166  C     
14   O        44.5540   10.5759    5.2478  O     
15   O        44.5675    9.4945    2.8731  O     
16   C        42.6660    7.4029    6.8674  C     
17   O        42.0299    6.4712    7.3530  O     
18   O        44.9420   11.6809    7.5927  O     
19   H        42.2889    7.6664    9.5177  H     
20   H        44.2577   11.3045   10.0095  H     
21   H        43.0163    9.4539   10.9278  H     
22   H        42.1234    5.4830    5.0682  H     
23   H        42.6308    5.4822    2.7311  H     
24   H        43.7639    7.3647    1.7235  H     
25   H        45.4825    9.1717    2.7415  H     
26   H        45.6998   11.3115    7.1017  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   18 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   16 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   16 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20   16   17 2
    21    1   19 1
    22    3   20 1
    23    4   21 1
    24   10   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   18   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9502
  Crash		| -0.4965
  Polar		| 1.6279
  FragIndex	| 1
  FragRMSD	| 0.149

@<TRIPOS>MOLECULE
BindingDB_11318
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.8201    8.3444    9.1137  C     
2    C        44.1527   10.5851    8.0961  C     
3    C        43.8708   10.4878    9.4708  C     
4    C        43.2010    9.3707    9.9968  C     
5    C        43.7609    9.5547    7.1963  C     
6    C        43.0746    8.4158    7.7207  C     
7    C        44.0095    9.6111    5.8075  C     
8    C        43.6512    8.5538    4.9461  C     
9    C        42.9729    7.4217    5.4900  C     
10   C        42.6122    6.3466    4.6324  C     
11   C        42.9036    6.3842    3.2574  C     
12   C        43.5510    7.5050    2.7179  C     
13   C        43.9316    8.5733    3.5480  C     
14   O        44.5474   10.6046    5.3361  O     
15   O        44.5726    9.6038    2.9346  O     
16   O        44.7871   11.7188    7.7060  O     
17   C        42.9003    9.2567   11.4446  C     
18   C        42.6557    7.3922    6.8571  C     
19   O        41.9579    6.4778    7.2906  O     
20   O        42.5592    5.3693    2.4247  O     
21   H        42.3338    7.5302    9.5061  H     
22   H        44.1830   11.2341   10.0980  H     
23   H        42.1339    5.5217    5.0001  H     
24   H        43.7555    7.5412    1.7164  H     
25   H        45.4778    9.2703    2.7503  H     
26   H        45.5307   11.4150    7.1433  H     
27   H        41.8168    9.1874   11.5940  H     
28   H        43.2705   10.1142   12.0103  H     
29   H        43.3672    8.3596   11.8507  H     
30   H        42.2381    4.6344    2.9923  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    4   17 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   11   12 1
    19   11   20 1
    20   12   13 2
    21   13   15 1
    22   18   19 2
    23    1   21 1
    24    3   22 1
    25   10   23 1
    26   12   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6829
  Crash		| -0.7601
  Polar		| 1.7508
  FragIndex	| 1
  FragRMSD	| 0.087