@<TRIPOS>MOLECULE
BindingDB_7460
 32 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1838   37.6791  140.1499  C     
2    C        -2.6867   37.9333  138.8537  C     
3    C        -1.9985   37.4766  137.7142  C     
4    C        -0.8185   36.7312  137.8618  C     
5    O        -2.4687   37.7463  136.4750  O     
6    C        -0.9646   36.9681  140.3096  C     
7    C        -0.3068   36.4909  139.1475  C     
8    C        -0.2882   36.7172  141.5192  C     
9    C         1.6607   36.1710  140.3160  C     
10   C         1.0426   36.3400  141.5169  C     
11   O        -0.8098   37.0303  142.5815  O     
12   O         1.6696   36.2788  142.6946  O     
13   O         0.8581   35.7762  139.2893  O     
14   C         2.9740   36.5712  139.9649  C     
15   C         4.0727   36.6064  140.8669  C     
16   C         3.2089   37.1255  138.6723  C     
17   C         4.4210   37.7511  138.3276  C     
18   C         5.4740   37.7901  139.2587  C     
19   C         5.3093   37.1756  140.5098  C     
20   O         6.5985   38.4948  138.9799  O     
21   O         4.5289   38.3378  137.1057  O     
22   O        -2.8717   38.1517  141.2236  O     
23   H        -3.5556   38.4602  138.7356  H     
24   H        -0.3221   36.3822  137.0376  H     
25   H        -3.1237   37.0365  136.3084  H     
26   H         2.3119   35.5331  142.6567  H     
27   H         3.9887   36.2717  141.8235  H     
28   H         2.4696   37.1480  137.9672  H     
29   H         6.0759   37.1966  141.1846  H     
30   H         7.2208   38.3338  139.7219  H     
31   H         5.4368   38.1583  136.7881  H     
32   H        -3.7812   38.3363  140.9068  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   13 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   13 1
    15    9   14 1
    16   10   12 1
    17   14   15 1
    18   14   16 2
    19   15   19 2
    20   16   17 1
    21   17   18 2
    22   17   21 1
    23   18   19 1
    24   18   20 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28   12   26 1
    29   15   27 1
    30   16   28 1
    31   19   29 1
    32   20   30 1
    33   21   31 1
    34   22   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8126
  Crash		| -1.9867
  Polar		| 3.0994
  FragIndex	| 1
  FragRMSD	| 0.515