BO81HC
-OEChem-04012118182D
48 52 0 1 0 0 0 0 0999 V2000
4.1633 0.2295 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3388 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 4.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7511 -2.1975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7021 -0.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7021 0.7295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7511 -0.5795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8000 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3388 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0601 -3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7511 1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4420 1.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4128 -3.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7000 -4.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4639 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1112 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7437 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0308 -5.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1549 3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8022 3.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8240 3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1841 5.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 -3.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6075 -2.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2037 -0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2212 -3.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3064 -4.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0490 1.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7176 2.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1372 -4.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2224 -6.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5484 3.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2170 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6378 -5.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6449 5.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 6.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7234 6.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 14 1 0 0 0 0
2 10 2 0 0 0 0
3 28 1 0 0 0 0
3 29 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 32 1 0 0 0 0
6 14 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
9 13 2 0 0 0 0
11 15 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 16 1 0 0 0 0
12 33 1 0 0 0 0
13 17 1 0 0 0 0
13 34 1 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 17 2 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 23 1 0 0 0 0
19 37 1 0 0 0 0
20 24 2 0 0 0 0
20 38 1 0 0 0 0
21 25 1 0 0 0 0
21 39 1 0 0 0 0
22 26 2 0 0 0 0
22 40 1 0 0 0 0
23 27 2 0 0 0 0
23 41 1 0 0 0 0
24 27 1 0 0 0 0
24 42 1 0 0 0 0
25 28 2 0 0 0 0
25 43 1 0 0 0 0
26 28 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$