@<TRIPOS>MOLECULE
BindingDB_50415858
 37 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.1278    2.4056   15.5018  C     
2    C        -3.5904    3.4533   14.7327  C     
3    C        -4.3867    4.5596   14.3569  C     
4    C        -5.7404    4.5857   14.7746  C     
5    C        -6.2753    3.5432   15.5570  C     
6    C        -5.4746    2.4391   15.9148  C     
7    S        -6.1049    1.1263   16.8716  S     
8    N        -7.7508    1.1221   17.1982  N     
9    O        -5.9094   -0.1729   15.9803  O     
10   O        -5.2513    0.8873   18.1914  O     
11   C        -3.7944    5.6554   13.5295  C     
12   C        -1.7347    7.1387   13.9797  C     
13   C        -0.8865    7.9343   14.8561  C     
14   O        -1.3830    6.9917   12.8201  O     
15   C        -1.4142    9.3684   15.1316  C     
16   C        -1.5331   10.2488   13.8601  C     
17   N        -2.0085   11.5953   14.1964  N     
18   C        -3.0855    6.7580   14.3819  C     
19   H        -3.5260    1.6203   15.7572  H     
20   H        -2.6081    3.4051   14.4461  H     
21   H        -6.3404    5.3766   14.5226  H     
22   H        -7.2517    3.5955   15.8597  H     
23   H        -8.2290    0.2749   17.1844  H     
24   H        -8.2488    1.9496   17.1484  H     
25   H        -3.1011    5.2048   12.8210  H     
26   H        -4.5766    6.1325   12.9285  H     
27   H        -0.7977    7.4117   15.8079  H     
28   H         0.1229    8.0070   14.4384  H     
29   H        -2.3952    9.3003   15.6177  H     
30   H        -0.7379    9.8526   15.8379  H     
31   H        -0.5590   10.3345   13.3715  H     
32   H        -2.2418    9.8065   13.1579  H     
33   H        -2.9005   11.5291   14.6969  H     
34   H        -2.1419   12.1317   13.3349  H     
35   H        -1.3201   12.0703   14.7884  H     
36   H        -3.7072    7.6584   14.3531  H     
37   H        -3.0464    6.4383   15.4242  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   18 1
    13   12   13 1
    14   12   14 2
    15   12   18 1
    16   13   15 1
    17   15   16 1
    18   16   17 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   11   26 1
    27   13   27 1
    28   13   28 1
    29   15   29 1
    30   15   30 1
    31   16   31 1
    32   16   32 1
    33   17   33 1
    34   17   34 1
    35   17   35 1
    36   18   36 1
    37   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8245
  Crash		| -1.1723
  Polar		| 2.4211
  FragIndex	| 1
  FragRMSD	| 1.083