B68DCM
-OEChem-04012114122D
45 47 0 1 0 0 0 0 0999 V2000
4.1208 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4809 1.7765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4079 -1.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0687 2.5856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 3.0856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5298 2.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5836 3.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4809 3.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0687 2.5856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7899 0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7680 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0687 2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0771 -0.3335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0552 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3642 -1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6951 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3424 -1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0041 -3.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6514 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9823 -3.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 3.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8346 3.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0462 3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0178 3.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2287 3.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0462 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8346 1.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 3.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 2.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3501 2.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3820 0.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7897 1.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4706 -0.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6692 -0.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0768 0.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5995 -1.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8015 -0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0886 -2.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7572 -1.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5893 -3.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2578 -2.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1739 -3.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
15 3 1 1 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
4 14 3 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 23 1 6 0 0 0
6 9 1 0 0 0 0
6 24 1 6 0 0 0
7 10 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 11 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 1 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
15 16 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 41 1 0 0 0 0
19 21 2 0 0 0 0
19 42 1 0 0 0 0
20 22 2 0 0 0 0
20 43 1 0 0 0 0
21 22 1 0 0 0 0
21 44 1 0 0 0 0
22 45 1 0 0 0 0
M END
$$$$