B8SG7L
-OEChem-04022109012D
49 52 0 1 0 0 0 0 0999 V2000
4.8660 1.9335 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 3.2996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 2.9335 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.5687 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0687 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5687 -1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0687 0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5687 -0.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0687 0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5687 -0.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5388 0.2015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5388 1.2015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5878 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5878 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4851 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4851 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0687 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5687 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0687 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0687 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0687 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5687 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5400 -0.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5400 2.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0508 -0.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8400 -0.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8400 2.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0508 1.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7185 1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2340 -0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0224 -0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0224 1.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2340 2.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2587 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7587 1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3787 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7587 -3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 19 2 0 0 0 0
5 30 1 0 0 0 0
5 49 1 0 0 0 0
6 30 2 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
7 19 1 0 0 0 0
8 19 1 0 0 0 0
8 26 1 0 0 0 0
8 43 1 0 0 0 0
9 10 2 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 0 0 0 0
11 31 1 1 0 0 0
12 14 1 0 0 0 0
12 17 1 0 0 0 0
12 32 1 1 0 0 0
13 15 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 18 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 20 1 0 0 0 0
18 21 2 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 24 1 0 0 0 0
21 42 1 0 0 0 0
22 25 1 0 0 0 0
22 44 1 0 0 0 0
24 25 2 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
27 29 2 0 0 0 0
27 30 1 0 0 0 0
28 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$