@<TRIPOS>MOLECULE
BindingDB_11929
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.0088   10.1930   14.7463  C     
2    C         0.0696    9.6204   14.0374  C     
3    C        -0.0211    8.2645   13.6475  C     
4    C        -1.1588    7.4993   13.9676  C     
5    C        -2.2416    8.0706   14.6783  C     
6    C        -2.1452    9.4285   15.0648  C     
7    C         1.2542   10.4464   13.7253  C     
8    C        -3.4480    7.2655   14.9988  C     
9    N        -4.2276    7.0496   13.8229  N     
10   S        -4.3452    5.5701   13.0218  S     
11   O        -5.6898    5.6320   12.1701  O     
12   O        -3.1557    5.3299   11.9946  O     
13   C        -4.5681    4.2218   14.0831  C     
14   C        -5.3942    2.4879   15.7754  C     
15   C        -4.0747    2.3012   15.3573  C     
16   C        -3.6203    3.2577   14.4332  C     
17   S        -6.0027    3.8756   14.9633  S     
18   N        -7.6069    2.2694   17.5502  N     
19   S        -6.2269    1.5296   16.9516  S     
20   O        -6.6346    0.1408   16.2959  O     
21   O        -5.1970    1.2519   18.1275  O     
22   H        -0.9729   11.1723   15.0405  H     
23   H         0.7403    7.8223   13.1298  H     
24   H        -1.1882    6.5127   13.6884  H     
25   H        -2.9047    9.8697   15.5902  H     
26   H         0.9580   11.3059   13.1241  H     
27   H         2.0095    9.8895   13.1725  H     
28   H         1.7069   10.8065   14.6496  H     
29   H        -3.1388    6.3286   15.4622  H     
30   H        -4.0887    7.7845   15.7160  H     
31   H        -4.7058    7.8085   13.4502  H     
32   H        -3.4855    1.5435   15.7107  H     
33   H        -2.6658    3.2557   14.0687  H     
34   H        -8.2198    1.7443   18.0842  H     
35   H        -7.8742    3.1445   17.2305  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    7 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    8    9 1
    10    9   10 1
    11   10   11 2
    12   10   12 2
    13   10   13 1
    14   13   16 2
    15   13   17 1
    16   14   15 2
    17   14   17 1
    18   14   19 1
    19   15   16 1
    20   18   19 am
    21   19   20 2
    22   19   21 2
    23    1   22 1
    24    3   23 1
    25    4   24 1
    26    6   25 1
    27    7   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8256
  Crash		| -1.3467
  Polar		| 4.2294
  FragIndex	| 1
  FragRMSD	| 1.117