BPE40Y
-OEChem-04012113302D
37 40 0 1 0 0 0 0 0999 V2000
2.9755 -1.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9972 1.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8019 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8019 -1.2207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9010 -0.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7029 -0.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9379 -2.2054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6785 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9254 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3880 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3019 0.9700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9162 -2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3019 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3792 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6067 1.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8019 2.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5572 2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5226 -0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3523 -2.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2919 0.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1198 -0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4840 -0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3120 0.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4658 1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 0.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 -0.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 -0.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1852 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4614 -1.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9937 -1.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2970 -0.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 -3.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7498 1.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1465 2.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3646 2.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5 1 1 6 0 0 0
1 6 1 0 0 0 0
8 2 1 1 0 0 0
2 34 1 0 0 0 0
3 12 1 0 0 0 0
3 18 1 0 0 0 0
4 18 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
6 9 1 0 0 0 0
6 13 1 1 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 20 1 6 0 0 0
8 14 1 0 0 0 0
8 21 1 0 0 0 0
9 12 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 15 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 14 2 0 0 0 0
11 16 1 0 0 0 0
12 15 1 0 0 0 0
12 26 1 1 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
15 17 2 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
M END
$$$$