B1GC2Y
-OEChem-04012114072D
40 43 0 1 0 0 0 0 0999 V2000
4.8532 0.2003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2888 3.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 2.8572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 1.6816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4255 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4255 -2.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 1.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1622 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 0.5093 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.1132 1.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.0784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.4223 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0091 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1657 -0.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7323 -0.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9887 0.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -2.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4700 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4700 -1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 1.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 -1.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 0.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 -2.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -0.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 9 1 0 0 0 0
1 17 1 0 0 0 0
2 18 1 0 0 0 0
3 18 1 0 0 0 0
4 18 1 0 0 0 0
5 15 1 0 0 0 0
5 22 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
10 14 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
12 14 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
16 20 2 0 0 0 0
16 31 1 0 0 0 0
17 23 2 0 0 0 0
17 24 1 0 0 0 0
19 21 2 0 0 0 0
20 21 1 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
23 25 1 0 0 0 0
23 36 1 0 0 0 0
24 26 2 0 0 0 0
24 37 1 0 0 0 0
25 27 2 0 0 0 0
25 38 1 0 0 0 0
26 27 1 0 0 0 0
26 39 1 0 0 0 0
27 40 1 0 0 0 0
M END
$$$$