@<TRIPOS>MOLECULE
BindingDB_14027
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.8401    8.1116    3.2592  C     
2    N        11.0116    6.9621    2.8112  N     
3    C         9.6454    7.2809    2.3396  C     
4    C         8.6673    7.6043    3.4929  C     
5    N         9.1274    8.6876    4.3271  N     
6    C        10.1661    8.4449    5.2987  C     
7    C        11.6133    8.5505    4.7364  C     
8    C         4.7739   10.2276    1.5395  C     
9    C         6.0242   10.2497    0.9124  C     
10   C         7.1946   10.3112    1.6787  C     
11   C         7.1475   10.3343    3.0912  C     
12   C         4.6921   10.2474    2.9454  C     
13   C         5.8785   10.2866    3.7422  C     
14   C         5.7188   10.2603    5.1516  C     
15   C         4.4348   10.2377    5.7184  C     
16   N         3.3405   10.2085    4.9227  N     
17   C         3.4306   10.2062    3.5749  C     
18   S         8.6908   10.2771    3.9208  S     
19   O         8.7393   11.2741    5.1588  O     
20   O         9.8526   10.8870    3.0108  O     
21   H        12.8893    7.8267    3.1449  H     
22   H        11.6802    8.9669    2.5928  H     
23   H        11.4893    6.5018    2.0320  H     
24   H        10.9411    6.2846    3.5733  H     
25   H         9.6670    8.0990    1.6180  H     
26   H         9.2711    6.4046    1.8090  H     
27   H         7.6916    7.8319    3.0557  H     
28   H         8.5239    6.7043    4.0976  H     
29   H        10.0600    9.1368    6.1428  H     
30   H        10.0334    7.4450    5.7280  H     
31   H        12.2613    7.9469    5.3824  H     
32   H        11.9509    9.5878    4.8311  H     
33   H         3.9299   10.1890    0.9612  H     
34   H         6.0835   10.2079   -0.1044  H     
35   H         8.0862   10.3117    1.1795  H     
36   H         6.5128   10.2532    5.7863  H     
37   H         4.3194   10.2433    6.7308  H     
38   H         2.5697   10.1696    3.0290  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    5   18 1
     8    6    7 1
     9    8    9 2
    10    8   12 1
    11    9   10 1
    12   10   11 2
    13   11   13 1
    14   11   18 1
    15   12   13 2
    16   12   17 1
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   18   19 2
    22   18   20 2
    23    1   21 1
    24    1   22 1
    25    2   23 1
    26    2   24 1
    27    3   25 1
    28    3   26 1
    29    4   27 1
    30    4   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    9   34 1
    37   10   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9120
  Crash		| -0.6439
  Polar		| 3.3639
  FragIndex	| 1
  FragRMSD	| 0.257

@<TRIPOS>MOLECULE
BindingDB_14028
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.4662    7.6755    5.6638  C     
2    C        11.9390    7.6443    5.0986  C     
3    C        11.8179    8.5670    3.8519  C     
4    C        10.6674    8.2279    2.8619  C     
5    C         8.6637    7.7908    4.3385  C     
6    N        10.7197    6.9134    5.5136  N     
7    C         8.2120    6.4166    3.7733  C     
8    N         9.3668    8.6112    3.3641  N     
9    S         8.8456   10.2199    3.1884  S     
10   O         9.5001   11.1147    4.3389  O     
11   O         9.6839   10.8447    1.9837  O     
12   C         7.1350   10.3613    2.7451  C     
13   C         4.5406   10.2377    1.5625  C     
14   C         6.9389   10.3236    1.3361  C     
15   C         5.6712   10.2860    0.7502  C     
16   C         5.9681   10.3402    3.6051  C     
17   C         4.6805   10.2324    2.9669  C     
18   C         3.4979   10.0960    3.7251  C     
19   C         4.7138   10.2489    5.7296  C     
20   C         5.9490   10.4121    5.0474  C     
21   C         7.1172   10.7443    5.9084  C     
22   N         3.5494   10.0923    5.0701  N     
23   H         9.6774    8.6652    6.0776  H     
24   H         8.8497    7.1466    6.3934  H     
25   H        12.6935    6.8777    4.8971  H     
26   H        12.2958    8.2324    5.9495  H     
27   H        11.7107    9.6019    4.1902  H     
28   H        12.7589    8.5115    3.2991  H     
29   H        10.8719    8.7293    1.9119  H     
30   H        10.6900    7.1619    2.6242  H     
31   H         7.7182    8.2759    4.6141  H     
32   H        10.8991    6.4695    6.4170  H     
33   H        10.5587    6.1688    4.8366  H     
34   H         9.0471    5.8125    3.4265  H     
35   H         7.5282    6.5819    2.9406  H     
36   H         7.6846    5.8553    4.5486  H     
37   H         3.6188   10.1880    1.1132  H     
38   H         7.7301   10.3028    0.6861  H     
39   H         5.5691   10.2592   -0.2673  H     
40   H         2.5859    9.9837    3.2778  H     
41   H         4.6571   10.2626    6.7528  H     
42   H         7.8424    9.9312    5.8681  H     
43   H         6.8584   10.8618    6.9718  H     
44   H         7.5431   11.6951    5.5703  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    4    8 1
     7    5    7 1
     8    5    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 2
    12    9   12 1
    13   12   14 2
    14   12   16 1
    15   13   15 2
    16   13   17 1
    17   14   15 1
    18   16   17 2
    19   16   20 1
    20   17   18 1
    21   18   22 2
    22   19   20 2
    23   19   22 1
    24   20   21 1
    25    1   23 1
    26    1   24 1
    27    2   25 1
    28    2   26 1
    29    3   27 1
    30    3   28 1
    31    4   29 1
    32    4   30 1
    33    5   31 1
    34    6   32 1
    35    6   33 1
    36    7   34 1
    37    7   35 1
    38    7   36 1
    39   13   37 1
    40   14   38 1
    41   15   39 1
    42   18   40 1
    43   19   41 1
    44   21   42 1
    45   21   43 1
    46   21   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8426
  Crash		| -2.5522
  Polar		| 3.5383
  FragIndex	| 1
  FragRMSD	| 1.288