@<TRIPOS>MOLECULE
BindingDB_13058
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.8723   30.0160   19.7454  C     
2    C        23.3780   28.6995   19.7493  C     
3    C        22.0247   28.4432   19.4720  C     
4    C        21.1982   29.5177   19.0797  C     
5    C        23.0487   31.1277   19.4063  C     
6    C        21.7063   30.8280   19.0539  C     
7    C        21.2133   33.1447   18.8581  C     
8    O        20.8540   31.8421   18.7471  O     
9    O        20.2619   34.0360   18.4969  O     
10   O        21.5933   27.1632   19.6695  O     
11   O        19.0097   27.8144   20.5324  O     
12   O        19.4757   26.1516   18.3437  O     
13   S        20.0026   26.6075   19.8712  S     
14   N        20.0401   25.2325   20.8211  N     
15   C        23.4359   32.5057   19.4576  C     
16   C        24.5895   34.7605   21.5260  C     
17   C        25.0268   33.3014   21.2375  C     
18   C        24.8362   32.8785   19.7563  C     
19   C        22.4995   33.4947   19.3066  C     
20   C        22.7611   34.9052   19.6610  C     
21   C        23.1182   35.0960   21.1646  C     
22   H        24.8398   30.1290   20.0441  H     
23   H        24.0023   27.9312   20.0093  H     
24   H        20.2188   29.3621   18.8408  H     
25   H        20.3424   24.3950   20.4251  H     
26   H        19.8838   25.3028   21.7833  H     
27   H        24.7296   34.9547   22.5906  H     
28   H        25.2508   35.4399   20.9838  H     
29   H        26.0866   33.2162   21.4888  H     
30   H        24.4846   32.6161   21.8944  H     
31   H        25.5400   32.0786   19.5296  H     
32   H        25.1641   33.6814   19.0929  H     
33   H        23.5541   35.3131   19.0324  H     
34   H        21.8916   35.5378   19.4693  H     
35   H        22.4478   34.4974   21.7880  H     
36   H        22.9468   36.1442   21.4277  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   10 1
     6    4    6 1
     7    5    6 2
     8    5   15 1
     9    6    8 1
    10    7    8 1
    11    7    9 2
    12    7   19 1
    13   10   13 1
    14   11   13 2
    15   12   13 2
    16   13   14 am
    17   15   18 1
    18   15   19 2
    19   16   17 1
    20   16   21 1
    21   17   18 1
    22   19   20 1
    23   20   21 1
    24    1   22 1
    25    2   23 1
    26    4   24 1
    27   14   25 1
    28   14   26 1
    29   16   27 1
    30   16   28 1
    31   17   29 1
    32   17   30 1
    33   18   31 1
    34   18   32 1
    35   20   33 1
    36   20   34 1
    37   21   35 1
    38   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9866
  Crash		| -0.6850
  Polar		| 3.3287
  FragIndex	| 1
  FragRMSD	| 0.984