B3M6DZ
-OEChem-04012118452D
43 45 0 0 0 0 0 0 0999 V2000
6.2619 2.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 4.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.6747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5208 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1606 -2.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 -2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9314 -4.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7134 -4.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1101 -4.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3532 -3.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7499 -2.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9680 -2.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0670 -3.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6702 -3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4522 -4.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5069 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1739 -1.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 0.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0036 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 -0.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 19 2 0 0 0 0
3 12 1 0 0 0 0
3 14 1 0 0 0 0
3 18 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
4 39 1 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
5 9 1 0 0 0 0
6 10 2 0 0 0 0
6 11 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 15 1 0 0 0 0
10 33 1 0 0 0 0
11 16 2 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 20 2 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 1 0 0 0 0
17 21 2 0 0 0 0
18 19 1 0 0 0 0
20 22 1 0 0 0 0
20 40 1 0 0 0 0
21 23 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
M END
$$$$