BW5Y3L
-OEChem-04022106292D
43 46 0 1 0 0 0 0 0999 V2000
3.3784 -0.0363 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.4773 -0.1774 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4273 0.1290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1684 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1556 -0.6656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2017 0.7838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9051 2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7368 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6483 -0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0085 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9136 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4004 -0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4840 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0390 -2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9262 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2295 -1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2133 0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6473 -0.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9484 1.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8162 -1.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9674 1.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5873 2.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5182 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 1.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7558 1.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0541 -1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2316 -1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6282 -1.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1331 -2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3952 1.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1600 2.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7804 -0.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 0.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9944 -0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2246 -1.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3610 -2.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 -2.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9663 1.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5427 1.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9275 -1.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6443 -1.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7713 0.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5752 -0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 6 1 0 0 0 0
2 9 1 0 0 0 0
2 13 1 0 0 0 0
3 5 1 0 0 0 0
3 7 1 0 0 0 0
3 9 1 0 0 0 0
3 18 1 1 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 19 1 6 0 0 0
5 10 1 0 0 0 0
5 20 1 1 0 0 0
6 11 1 0 0 0 0
6 21 1 6 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 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 32 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
13 35 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
M END
$$$$