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


@<TRIPOS>ATOM
1    C        -1.6758    9.3708   15.5141  C     
2    C        -1.8175   10.2140   14.3912  C     
3    C        -1.8181    9.6272   13.1055  C     
4    C        -1.7365    8.2358   12.9498  C     
5    C        -1.6709    7.3853   14.0808  C     
6    C        -1.5951    7.9779   15.3592  C     
7    C        -1.9574   11.6799   14.5772  C     
8    C        -1.6195    5.9073   13.9115  C     
9    N        -2.7114    5.3991   13.1503  N     
10   S        -4.3260    5.6317   13.5734  S     
11   O        -4.5894    7.1575   13.9492  O     
12   O        -5.1798    5.4923   12.2328  O     
13   C        -5.0976    4.5572   14.6991  C     
14   C        -5.9783    2.6296   16.1545  C     
15   C        -6.7284    3.8099   16.2460  C     
16   C        -6.2453    4.8621   15.4416  C     
17   S        -4.6871    2.9201   15.0520  S     
18   N        -7.8405    1.0956   17.6840  N     
19   S        -6.3076    1.1488   16.9957  S     
20   O        -6.1699   -0.0915   16.0051  O     
21   O        -5.2300    1.0217   18.1610  O     
22   H        -1.6301    9.7779   16.4578  H     
23   H        -1.8903   10.2191   12.2739  H     
24   H        -1.7400    7.8434   12.0132  H     
25   H        -1.5143    7.3949   16.1952  H     
26   H        -2.8276   11.8978   15.2122  H     
27   H        -2.1042   12.2065   13.6227  H     
28   H        -1.0596   12.0852   15.0575  H     
29   H        -0.7024    5.6282   13.3951  H     
30   H        -1.6169    5.3876   14.8714  H     
31   H        -2.5296    4.8049   12.4000  H     
32   H        -7.5644    3.9024   16.8378  H     
33   H        -6.7141    5.7769   15.4009  H     
34   H        -8.0148    0.4684   18.4149  H     
35   H        -8.4871    1.8090   17.4895  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	| 6.0218
  Crash		| -1.3074
  Polar		| 3.0226
  FragIndex	| 1
  FragRMSD	| 1.360