@<TRIPOS>MOLECULE
BindingDB_50334345
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1622    4.1936   15.8881  C     
2    C        17.6914    5.2636   15.1426  C     
3    C        16.8559    6.2835   14.6164  C     
4    C        15.4669    6.1810   14.8696  C     
5    C        14.9310    5.1151   15.6267  C     
6    C        15.7796    4.1174   16.1381  C     
7    S        15.1635    2.7870   17.0700  S     
8    N        13.5605    2.7588   17.5638  N     
9    O        15.3062    1.5016   16.1498  O     
10   O        16.1246    2.4330   18.2843  O     
11   N        17.2709    7.3773   13.8819  N     
12   C        18.4861    7.7826   13.5388  C     
13   N        18.5757    8.8966   12.8183  N     
14   O        19.4972    7.1597   13.8327  O     
15   C        19.7346    9.5205   12.4426  C     
16   C        20.8667    9.5791   13.2915  C     
17   C        22.0712   10.1457   12.8478  C     
18   C        22.1596   10.6862   11.5456  C     
19   C        21.0244   10.6608   10.7074  C     
20   C        19.8152   10.1001   11.1603  C     
21   C        23.2761   11.2108   11.1272  C     
22   N        24.2573   11.6796   10.7566  N     
23   H        17.7988    3.4771   16.2506  H     
24   H        18.6986    5.2658   14.9975  H     
25   H        14.8239    6.8875   14.5054  H     
26   H        13.9264    5.0794   15.8044  H     
27   H        12.9116    2.2491   17.0495  H     
28   H        13.3259    3.1050   18.4395  H     
29   H        16.5558    7.9689   13.5994  H     
30   H        17.7429    9.2586   12.4630  H     
31   H        20.8183    9.2091   14.2450  H     
32   H        22.8791   10.1526   13.4797  H     
33   H        21.0708   11.0369    9.7560  H     
34   H        19.0075   10.0813   10.5346  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 am
    14   12   14 2
    15   13   15 1
    16   15   16 2
    17   15   20 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   19   20 2
    23   21   22 3
    24    1   23 1
    25    2   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    8   28 1
    30   11   29 1
    31   13   30 1
    32   16   31 1
    33   17   32 1
    34   19   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2608
  Crash		| -1.2243
  Polar		| 2.3785
  FragIndex	| 1
  FragRMSD	| 1.082