@<TRIPOS>MOLECULE
BindingDB_50211828
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.9468    8.0966   15.3048  C     
2    N        -2.7824    7.2775   14.7697  N     
3    C        -2.8145    6.5053   13.6206  C     
4    C        -4.2350    5.9255   13.3938  C     
5    C        -4.6428    4.8337   14.3176  C     
6    C        -5.9332    4.8044   14.8997  C     
7    C        -6.3644    3.7017   15.6539  C     
8    C        -5.4899    2.6204   15.8841  C     
9    C        -4.1804    2.6599   15.3638  C     
10   C        -3.7697    3.7484   14.5767  C     
11   S        -5.9994    1.2190   16.7658  S     
12   N        -7.5402    1.2414   17.4244  N     
13   O        -5.8731   -0.0949   15.8897  O     
14   O        -4.9962    1.0117   17.9810  O     
15   C        -0.7200    8.5404   14.8223  C     
16   C        -0.0398    7.9285   13.7362  C     
17   C         1.2136    8.4260   13.3221  C     
18   N         1.7580    9.5076   13.9358  N     
19   C         1.1403   10.1264   14.9762  C     
20   C        -0.0911    9.6418   15.4548  C     
21   H        -2.3067    8.5485   16.1079  H     
22   H        -2.5544    7.1316   12.7571  H     
23   H        -2.0840    5.6955   13.6877  H     
24   H        -4.9459    6.7659   13.4317  H     
25   H        -4.2794    5.5218   12.3758  H     
26   H        -6.5897    5.5717   14.7361  H     
27   H        -7.3165    3.6811   16.0286  H     
28   H        -3.5261    1.8876   15.5194  H     
29   H        -2.8371    3.7285   14.1598  H     
30   H        -7.6587    1.0758   18.3730  H     
31   H        -8.3069    1.4120   16.8513  H     
32   H        -0.4057    7.1024   13.2676  H     
33   H         1.7180    7.9645   12.5585  H     
34   H         1.5814   10.9378   15.4100  H     
35   H        -0.5251   10.1133   16.2462  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   15 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 2
     7    5   10 1
     8    6    7 1
     9    7    8 2
    10    8    9 1
    11    8   11 1
    12    9   10 2
    13   11   12 am
    14   11   13 2
    15   11   14 2
    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    1   21 1
    23    3   22 1
    24    3   23 1
    25    4   24 1
    26    4   25 1
    27    6   26 1
    28    7   27 1
    29    9   28 1
    30   10   29 1
    31   12   30 1
    32   12   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   20   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2581
  Crash		| -1.4333
  Polar		| 2.8866
  FragIndex	| 1
  FragRMSD	| 1.196