@<TRIPOS>MOLECULE
BindingDB_50345221
 36 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -6.1025    3.4436   15.5650  C     
2    C        -5.5038    4.4125   14.7365  C     
3    C        -4.2004    4.2136   14.2090  C     
4    C        -3.4966    3.0311   14.5774  C     
5    C        -4.0885    2.0673   15.4144  C     
6    C        -5.3988    2.2619   15.9123  C     
7    S        -6.1007    1.0588   16.9511  S     
8    N        -7.6243    1.4269   17.5477  N     
9    O        -6.2248   -0.2781   16.1018  O     
10   O        -5.1149    0.8205   18.1717  O     
11   N        -3.7180    5.2250   13.4232  N     
12   C        -2.7910    5.2133   12.4722  C     
13   O        -2.2402    4.1840   12.0929  O     
14   C        -2.4588    6.4608   11.8056  C     
15   C        -1.4255    7.3795   12.5647  C     
16   C        -1.3988    8.7760   11.8541  C     
17   C        -1.8195    7.5955   14.0610  C     
18   C         0.0093    6.7622   12.4888  C     
19   H        -7.0482    3.6144   15.9249  H     
20   H        -6.0301    5.2690   14.5046  H     
21   H        -2.5358    2.8687   14.2628  H     
22   H        -3.5449    1.2285   15.6701  H     
23   H        -8.0807    0.7554   18.0854  H     
24   H        -7.9480    2.3434   17.5387  H     
25   H        -4.1548    6.0826   13.5606  H     
26   H        -2.0645    6.2347   10.8084  H     
27   H        -3.3888    7.0237   11.6446  H     
28   H        -1.1190    8.6777   10.8012  H     
29   H        -0.6819    9.4479   12.3368  H     
30   H        -2.3808    9.2547   11.9001  H     
31   H        -2.8424    7.9773   14.1431  H     
32   H        -1.1363    8.3038   14.5407  H     
33   H        -1.7648    6.6634   14.6238  H     
34   H         0.0547    5.8142   13.0281  H     
35   H         0.7412    7.4434   12.9264  H     
36   H         0.2928    6.5772   11.4518  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   15   16 1
    17   15   17 1
    18   15   18 1
    19    1   19 1
    20    2   20 1
    21    4   21 1
    22    5   22 1
    23    8   23 1
    24    8   24 1
    25   11   25 1
    26   14   26 1
    27   14   27 1
    28   16   28 1
    29   16   29 1
    30   16   30 1
    31   17   31 1
    32   17   32 1
    33   17   33 1
    34   18   34 1
    35   18   35 1
    36   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7881
  Crash		| -1.3875
  Polar		| 2.6166
  FragIndex	| 1
  FragRMSD	| 1.162