D0D2MS
-OEChem-10101305022D
35 37 0 1 0 0 0 0 0999 V2000
6.7485 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7523 1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3548 3.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.4782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9917 1.6999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9405 0.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9422 1.3892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4026 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6844 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4026 0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4309 2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4934 0.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4942 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3035 3.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1364 2.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0935 1.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0916 0.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3154 0.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3182 1.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1642 3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11 1 1 1 0 0 0
1 29 1 0 0 0 0
12 2 1 1 0 0 0
2 30 1 0 0 0 0
3 14 1 0 0 0 0
3 32 1 0 0 0 0
9 4 1 6 0 0 0
4 16 1 0 0 0 0
4 17 1 0 0 0 0
5 17 2 0 0 0 0
5 18 1 0 0 0 0
6 16 1 0 0 0 0
6 20 2 0 0 0 0
7 19 2 0 0 0 0
7 20 1 0 0 0 0
8 19 1 0 0 0 0
8 34 1 0 0 0 0
8 35 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 21 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 6 0 0 0
10 22 1 0 0 0 0
11 12 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 15 2 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
15 28 1 0 0 0 0
16 18 2 0 0 0 0
17 31 1 0 0 0 0
18 19 1 0 0 0 0
20 33 1 0 0 0 0
M END
$$$$