B5MN8A
-OEChem-04012117362D
36 38 0 0 0 0 0 0 0999 V2000
6.2619 1.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 3.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.9304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -1.1769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5458 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2136 -1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8564 -3.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 -0.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 -0.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8640 -1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1532 -2.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7318 -0.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8203 -1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3170 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2671 -3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0490 -4.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4458 -3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 10 2 0 0 0 0
3 13 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
5 13 1 0 0 0 0
5 16 1 0 0 0 0
5 29 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
7 10 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 10 1 0 0 0 0
11 14 1 0 0 0 0
11 25 1 0 0 0 0
12 15 1 0 0 0 0
12 26 1 0 0 0 0
14 15 2 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
16 17 1 0 0 0 0
16 19 2 0 0 0 0
17 18 2 0 0 0 0
17 30 1 0 0 0 0
18 20 1 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 31 1 0 0 0 0
20 21 2 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
M END
$$$$