BTPM76
-OEChem-04022102352D
25 27 0 0 0 0 0 0 0999 V2000
5.2619 -2.2787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 3.0724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2996 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5888 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9424 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2316 3.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -2.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0028 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3357 1.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5061 2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4242 3.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
1 19 1 0 0 0 0
2 7 2 0 0 0 0
3 7 1 0 0 0 0
3 10 2 0 0 0 0
4 15 1 0 0 0 0
4 17 2 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
6 11 1 0 0 0 0
8 9 2 0 0 0 0
8 18 1 0 0 0 0
9 10 1 0 0 0 0
9 20 1 0 0 0 0
10 21 1 0 0 0 0
11 13 3 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 15 2 0 0 0 0
14 16 2 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
16 24 1 0 0 0 0
17 25 1 0 0 0 0
M END
$$$$