@<TRIPOS>MOLECULE
BindingDB_7461
 29 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.2133   37.5846  140.1846  C     
2    C        -2.8169   37.8369  138.9347  C     
3    C        -2.1743   37.4691  137.7376  C     
4    C        -0.9234   36.8345  137.7881  C     
5    O        -2.7392   37.6972  136.5260  O     
6    C        -0.9350   36.9732  140.2450  C     
7    C        -0.3084   36.5991  139.0280  C     
8    C        -0.1754   36.7510  141.4047  C     
9    C         1.7374   36.3217  140.0964  C     
10   C         1.1706   36.5172  141.3123  C     
11   O        -0.6408   36.9665  142.5178  O     
12   O         0.9309   36.0005  139.0509  O     
13   C         3.0727   36.6373  139.7991  C     
14   C         3.4006   37.1304  138.5075  C     
15   C         4.1149   36.5869  140.7619  C     
16   C         5.3986   37.0815  140.4673  C     
17   C         5.6846   37.6012  139.1966  C     
18   C         4.6885   37.6087  138.2086  C     
19   O        -2.8906   37.9766  141.2925  O     
20   H        -3.7311   38.2907  138.8955  H     
21   H        -0.4540   36.5528  136.9237  H     
22   H        -3.7091   37.6816  136.6691  H     
23   H         1.7349   36.7131  142.1061  H     
24   H         2.6929   37.1957  137.7719  H     
25   H         3.9531   36.2068  141.6961  H     
26   H         6.1235   37.0775  141.1862  H     
27   H         6.6136   37.9754  138.9909  H     
28   H         4.8946   37.9869  137.2812  H     
29   H        -3.1257   37.1523  141.7648  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   19 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   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   13   14 1
    17   13   15 2
    18   14   18 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22    2   20 1
    23    4   21 1
    24    5   22 1
    25   10   23 1
    26   14   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   18   28 1
    31   19   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2509
  Crash		| -1.2420
  Polar		| 0.0630
  FragIndex	| 1
  FragRMSD	| 0.651