BC6UH3
-OEChem-04012113283D
29 30 0 0 0 0 0 0 0999 V2000
3.8909 -0.1691 0.1286 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 0.8596 1.0296 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2477 -1.5632 0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8879 -0.7642 0.2011 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6281 0.1848 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0655 0.2973 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1516 -0.0327 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 1.2938 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.0330 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5369 1.1850 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3762 -1.1418 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1962 -0.3747 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8611 1.3809 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2091 0.9557 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 0.2410 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3031 -1.3195 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3056 2.2532 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5871 -1.9125 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5875 -1.6922 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1211 2.0630 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8349 -2.0970 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5221 2.3729 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0914 1.5560 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1029 1.2581 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 0.1783 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9903 -0.4739 -2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2445 -2.1663 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2689 -1.7068 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2742 -0.8348 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 8 2 0 0 0 0
5 9 1 0 0 0 0
6 13 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 10 1 0 0 0 0
8 17 1 0 0 0 0
9 11 2 0 0 0 0
9 18 1 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
13 22 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
M END
$$$$