B4N1UE
-OEChem-04012119512D
42 44 0 0 0 0 0 0 0999 V2000
3.2688 -3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.8821 -0.1835 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2688 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 1.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0778 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7720 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2368 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7231 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1879 -0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9310 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1333 2.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6718 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6670 3.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6718 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6432 2.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7761 -0.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8888 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1839 1.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3168 -1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 3.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2522 5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 4.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 12 1 0 0 0 0
1 20 1 0 0 0 0
2 24 1 0 0 0 0
5 6 1 0 0 0 0
5 10 1 0 0 0 0
5 15 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 26 1 0 0 0 0
11 18 2 0 0 0 0
11 19 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 16 1 0 0 0 0
13 27 1 0 0 0 0
14 17 2 0 0 0 0
14 28 1 0 0 0 0
15 23 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
18 21 1 0 0 0 0
18 33 1 0 0 0 0
19 22 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 24 2 0 0 0 0
21 38 1 0 0 0 0
22 24 1 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
M END
$$$$