L82JQS
-OEChem-05022323333D
55 58 0 0 0 0 0 0 0999 V2000
7.8272 0.7969 0.5656 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2186 -1.1260 -0.5631 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6806 -2.7238 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3763 -1.6502 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -2.5716 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1922 -4.0996 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0935 -2.5464 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 -1.2908 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7610 -0.2894 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4606 -0.1048 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2986 -3.6704 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 -1.1606 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3586 -2.2675 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9131 -3.5198 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9585 1.2268 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 -2.1117 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7530 -0.9454 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5363 2.3488 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2179 -0.7905 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0344 3.6858 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9855 -1.7624 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 0.3237 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9171 4.7508 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 3.9214 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3722 -1.6163 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1855 0.4699 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9723 -0.5001 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 6.0544 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1741 5.2250 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0563 6.2915 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -0.3479 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4377 -1.5835 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3456 -1.9366 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2882 -4.1217 -0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8283 -4.3291 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8780 -4.9131 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6350 -3.3138 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7885 -1.5728 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1802 -2.6269 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4175 0.5605 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6930 -4.6621 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 -0.1830 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 -4.3945 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6301 -3.0383 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2181 -0.0253 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5610 -2.6348 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1994 1.0873 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9683 -2.3801 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6097 1.3544 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9888 4.5819 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0367 3.1002 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1144 6.8849 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8938 5.4098 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6752 7.3064 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8027 0.8974 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
1 55 1 0 0 0 0
2 31 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
4 9 1 0 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 8 2 0 0 0 0
5 11 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
6 36 1 0 0 0 0
7 37 1 0 0 0 0
7 38 1 0 0 0 0
7 39 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 40 1 0 0 0 0
10 15 1 0 0 0 0
11 14 2 0 0 0 0
11 41 1 0 0 0 0
12 13 2 0 0 0 0
12 42 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
14 43 1 0 0 0 0
15 18 3 0 0 0 0
16 17 2 0 0 0 0
16 44 1 0 0 0 0
17 19 1 0 0 0 0
17 45 1 0 0 0 0
18 20 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
21 46 1 0 0 0 0
22 26 2 0 0 0 0
22 47 1 0 0 0 0
23 28 1 0 0 0 0
23 50 1 0 0 0 0
24 29 2 0 0 0 0
24 51 1 0 0 0 0
25 27 2 0 0 0 0
25 48 1 0 0 0 0
26 27 1 0 0 0 0
26 49 1 0 0 0 0
27 31 1 0 0 0 0
28 30 2 0 0 0 0
28 52 1 0 0 0 0
29 30 1 0 0 0 0
29 53 1 0 0 0 0
30 54 1 0 0 0 0
M END
$$$$