B79YHC
-OEChem-04012112502D
40 42 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
2.2212 4.0784 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
3.6180 3.8572 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
6.8158 -0.0868 0.0000 N 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 -0.0784 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
3.0878 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
3.3968 2.4604 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
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
6.4000 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 0.2222 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
7.3511 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1921 2.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 0.5823 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
5.4040 -0.1927 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
7.8118 1.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 2.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 3.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5857 2.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1486 0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 14 1 0 0 0 0
1 23 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 22 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 10 2 0 0 0 0
8 15 1 0 0 0 0
9 21 2 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 15 2 0 0 0 0
13 27 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 22 1 0 0 0 0
16 18 1 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
21 32 1 0 0 0 0
23 33 1 0 0 0 0
23 34 1 0 0 0 0
23 35 1 0 0 0 0
24 26 2 0 0 0 0
24 36 1 0 0 0 0
25 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$