B79GRM
-OEChem-04012115572D
45 49 0 0 0 0 0 0 0999 V2000
9.0084 -2.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7354 0.7515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 -1.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2653 0.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2696 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1128 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0139 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8571 3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8077 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -2.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2010 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1154 0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5235 2.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6032 1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7293 3.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2691 3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 9 1 0 0 0 0
1 31 1 0 0 0 0
2 13 1 0 0 0 0
2 17 1 0 0 0 0
2 32 1 0 0 0 0
3 8 2 0 0 0 0
4 13 2 0 0 0 0
4 18 1 0 0 0 0
5 19 1 0 0 0 0
5 27 1 0 0 0 0
5 40 1 0 0 0 0
6 20 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 15 1 0 0 0 0
11 28 1 0 0 0 0
12 16 1 0 0 0 0
12 20 2 0 0 0 0
14 15 2 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 19 2 0 0 0 0
16 21 1 0 0 0 0
17 18 1 0 0 0 0
17 22 2 0 0 0 0
18 23 2 0 0 0 0
19 24 1 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
22 37 1 0 0 0 0
23 26 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 26 2 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$