B9E3HX
-OEChem-04012113332D
47 48 0 1 0 0 0 0 0999 V2000
6.5661 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4807 -0.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8984 -0.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1013 1.1783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 0.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0981 1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0794 0.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3582 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9968 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5794 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9103 2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4862 0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5041 0.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0333 2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4916 1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 1.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 0.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6893 0.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8052 2.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3903 2.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0810 1.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9943 2.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4119 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6003 3.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7329 -0.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 17 2 0 0 0 0
3 20 1 0 0 0 0
3 47 1 0 0 0 0
4 20 2 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
5 17 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
18 7 1 1 0 0 0
7 45 1 0 0 0 0
7 46 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 1 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 15 1 0 0 0 0
12 20 1 6 0 0 0
12 30 1 0 0 0 0
14 16 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 16 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 37 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
19 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$