@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7100    7.7033   10.6189  C     
2    C        -0.6636    8.5729   10.9681  C     
3    C        -0.0713    8.4862   12.2422  C     
4    C        -0.5246    7.5208   13.1617  C     
5    C        -1.5750    6.6533   12.8094  C     
6    C        -2.1810    6.7208   11.5261  C     
7    C        -3.2732    5.8127   11.0776  C     
8    N        -3.6962    4.8508   12.0520  N     
9    C        -4.9280    4.6127   12.5029  C     
10   O        -5.8620    5.2635   12.0395  O     
11   C        -5.1757    3.6922   13.5292  C     
12   C        -4.2029    2.7386   13.9415  C     
13   C        -6.4226    3.6821   14.2163  C     
14   C        -6.6712    2.7870   15.2707  C     
15   C        -5.6953    1.8482   15.6642  C     
16   C        -4.4538    1.8371   14.9921  C     
17   S        -5.9855    0.7157   16.9557  S     
18   O        -6.0061   -0.7224   16.2794  O     
19   O        -4.7940    0.7849   18.0038  O     
20   N        -7.4619    0.8868   17.7411  N     
21   H        -2.1267    7.7825    9.6853  H     
22   H        -0.3314    9.2689   10.2962  H     
23   H         0.6927    9.1142   12.4936  H     
24   H        -0.0775    7.4411   14.0777  H     
25   H        -1.8742    5.9618   13.5004  H     
26   H        -4.1155    6.4308   10.7444  H     
27   H        -2.9060    5.2535   10.2138  H     
28   H        -2.9900    4.3130   12.4344  H     
29   H        -3.2896    2.6804   13.4779  H     
30   H        -7.1639    4.3507   13.9772  H     
31   H        -7.5661    2.8355   15.7645  H     
32   H        -3.7204    1.1714   15.2682  H     
33   H        -7.7675    0.1857   18.3408  H     
34   H        -7.9518    1.7289   17.7014  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3525
  Crash		| -0.6158
  Polar		| 3.9020
  FragIndex	| 1
  FragRMSD	| 0.853