BWE78U
-OEChem-04012118262D
41 44 0 0 0 0 0 0 0999 V2000
7.2566 2.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.6522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.8475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 3.7593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4026 -3.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9405 -2.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9422 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 2.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 -2.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9411 -2.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9425 -3.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5572 -2.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0684 -2.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4553 -4.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2449 -4.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0722 -4.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5587 -3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 1.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 3.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5069 4.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5276 3.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 41 1 0 0 0 0
2 3 1 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
3 15 2 0 0 0 0
4 13 2 0 0 0 0
4 18 1 0 0 0 0
5 17 1 0 0 0 0
5 18 2 0 0 0 0
6 17 1 0 0 0 0
6 36 1 0 0 0 0
6 37 1 0 0 0 0
7 23 1 0 0 0 0
7 39 1 0 0 0 0
7 40 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
15 16 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
18 33 1 0 0 0 0
19 21 1 0 0 0 0
19 34 1 0 0 0 0
20 22 2 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
22 23 1 0 0 0 0
22 38 1 0 0 0 0
M END
$$$$