BU15YB
-OEChem-04012112532D
35 37 0 0 0 0 0 0 0999 V2000
3.8968 -3.0784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9659 0.2493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.8572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.9216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 2.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -4.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4659 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9659 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2749 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2768 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -4.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5168 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4659 2.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6015 -0.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8646 1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 12 1 0 0 0 0
1 21 1 0 0 0 0
2 23 1 0 0 0 0
2 24 1 0 0 0 0
3 20 1 0 0 0 0
4 20 1 0 0 0 0
5 20 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
9 11 2 0 0 0 0
9 16 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 17 1 0 0 0 0
12 18 2 0 0 0 0
12 19 1 0 0 0 0
13 16 2 0 0 0 0
13 25 1 0 0 0 0
14 18 1 0 0 0 0
14 26 1 0 0 0 0
15 19 2 0 0 0 0
15 27 1 0 0 0 0
16 20 1 0 0 0 0
17 22 1 0 0 0 0
17 23 2 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
21 30 1 0 0 0 0
21 31 1 0 0 0 0
21 32 1 0 0 0 0
22 24 2 0 0 0 0
22 33 1 0 0 0 0
23 34 1 0 0 0 0
24 35 1 0 0 0 0
M END
$$$$