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


@<TRIPOS>ATOM
1    C        -2.0420    7.2583   15.4039  C     
2    C        -1.5265    8.2388   16.2648  C     
3    C        -0.4202    9.0120   15.8687  C     
4    C         0.1781    8.7849   14.6163  C     
5    C        -0.3416    7.7964   13.7567  C     
6    C        -1.4557    7.0118   14.1349  C     
7    C        -2.0450    6.0373   13.1800  C     
8    N        -2.7037    4.9563   13.8466  N     
9    C        -4.0112    4.7892   14.0244  C     
10   O        -4.7790    5.6207   13.5492  O     
11   C        -4.5428    3.7372   14.7999  C     
12   C        -5.9420    3.6005   14.9919  C     
13   C        -3.7068    2.7856   15.4474  C     
14   C        -4.2418    1.7607   16.2490  C     
15   C        -5.6318    1.6577   16.4312  C     
16   C        -6.4807    2.5836   15.8001  C     
17   S        -6.2774    0.3859   17.4355  S     
18   O        -6.0769   -0.9151   16.5470  O     
19   O        -5.4572    0.1859   18.7814  O     
20   N        -7.9360    0.4387   17.6969  N     
21   H        -2.8693    6.7368   15.7100  H     
22   H        -1.9732    8.4132   17.1667  H     
23   H        -0.0550    9.7388   16.4909  H     
24   H         0.9761    9.3522   14.3204  H     
25   H         0.0925    7.6655   12.8372  H     
26   H        -2.6996    6.5896   12.4993  H     
27   H        -1.2601    5.5957   12.5725  H     
28   H        -2.1165    4.2933   14.2242  H     
29   H        -6.6008    4.2408   14.5375  H     
30   H        -2.6895    2.8203   15.3447  H     
31   H        -3.6046    1.1056   16.7124  H     
32   H        -7.4945    2.5357   15.9321  H     
33   H        -8.4129   -0.3945   17.8774  H     
34   H        -8.4350    1.2432   17.5144  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	| 5.0546
  Crash		| -0.7918
  Polar		| 2.2307
  FragIndex	| 1
  FragRMSD	| 0.898