@<TRIPOS>MOLECULE
BindingDB_50345218
 33 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.8880    3.1063   15.0459  C     
2    C        -5.1830    4.0391   14.2578  C     
3    C        -3.7691    4.1206   14.3311  C     
4    C        -3.0889    3.2493   15.2107  C     
5    C        -3.7921    2.3026   15.9755  C     
6    C        -5.1980    2.2357   15.9138  C     
7    S        -6.0664    1.1201   16.9325  S     
8    N        -7.4828    1.7656   17.5631  N     
9    O        -6.4485   -0.1919   16.1221  O     
10   O        -5.1571    0.7285   18.1766  O     
11   N        -2.9694    4.9692   13.6087  N     
12   C        -3.1598    5.4992   12.3994  C     
13   O        -4.2049    5.2994   11.7582  O     
14   C        -2.1176    6.3181   11.7793  C     
15   C        -2.2913    7.8147   12.1513  C     
16   C        -0.6624    5.8488   12.0970  C     
17   C        -0.3968    4.3484   11.8323  C     
18   H        -6.9122    3.0837   14.9806  H     
19   H        -5.7082    4.6835   13.6622  H     
20   H        -2.0684    3.2914   15.2988  H     
21   H        -3.2683    1.6764   16.5961  H     
22   H        -7.9284    1.2828   18.2803  H     
23   H        -7.6602    2.7153   17.4526  H     
24   H        -2.0959    5.1535   14.0055  H     
25   H        -2.2346    6.2639   10.6932  H     
26   H        -3.2728    8.1776   11.8423  H     
27   H        -1.5389    8.4197   11.6490  H     
28   H        -2.1882    7.9677   13.2299  H     
29   H         0.0492    6.4139   11.4670  H     
30   H        -0.4285    6.0474   13.1539  H     
31   H        -1.0398    3.7129   12.4588  H     
32   H         0.6527    4.1066   12.0677  H     
33   H        -0.5754    4.1001   10.7757  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   14   16 1
    17   16   17 1
    18    1   18 1
    19    2   19 1
    20    4   20 1
    21    5   21 1
    22    8   22 1
    23    8   23 1
    24   11   24 1
    25   14   25 1
    26   15   26 1
    27   15   27 1
    28   15   28 1
    29   16   29 1
    30   16   30 1
    31   17   31 1
    32   17   32 1
    33   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5146
  Crash		| -1.3553
  Polar		| 2.5542
  FragIndex	| 1
  FragRMSD	| 1.160