@<TRIPOS>MOLECULE
BindingDB_50334346
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1253    4.1189   15.9483  C     
2    C        17.6872    5.1442   15.1669  C     
3    C        16.8784    6.1643   14.6076  C     
4    C        15.4844    6.1118   14.8486  C     
5    C        14.9183    5.0931   15.6350  C     
6    C        15.7367    4.0835   16.1828  C     
7    S        15.0802    2.8027   17.1504  S     
8    N        13.4054    2.7459   17.2685  N     
9    O        15.3854    1.4920   16.3136  O     
10   O        15.8368    2.6055   18.5349  O     
11   N        17.3310    7.1944   13.8166  N     
12   C        18.5573    7.6285   13.5682  C     
13   N        18.6622    8.6652   12.7454  N     
14   O        19.5540    7.1224   14.0566  O     
15   C        19.8223    9.2863   12.3613  C     
16   C        20.0675    9.3915   10.9763  C     
17   C        21.2618    9.9568   10.4972  C     
18   C        22.2157   10.4542   11.3988  C     
19   C        21.9681   10.4076   12.7804  C     
20   C        20.7784    9.8235   13.2754  C     
21   C        20.5794    9.8543   14.5655  C     
22   N        20.4024    9.8759   15.6989  N     
23   H        17.7402    3.4018   16.3408  H     
24   H        18.6939    5.1226   15.0158  H     
25   H        14.8644    6.8289   14.4648  H     
26   H        13.9101    5.0915   15.8068  H     
27   H        12.9454    1.9391   16.9908  H     
28   H        12.9070    3.5743   17.3330  H     
29   H        16.6294    7.7164   13.3916  H     
30   H        17.8464    8.9467   12.2893  H     
31   H        19.3847    9.0265   10.3061  H     
32   H        21.4403    9.9973    9.4942  H     
33   H        23.0856   10.8629   11.0499  H     
34   H        22.6749   10.7881   13.4171  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   19   20 2
    22   20   21 1
    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   18   33 1
    35   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4781
  Crash		| -0.9079
  Polar		| 2.0219
  FragIndex	| 1
  FragRMSD	| 1.040