B70LDQ
-OEChem-04022108332D
50 54 0 1 0 0 0 0 0999 V2000
6.7733 -4.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 -0.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 3.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0950 -0.7113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7733 -2.4066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 2.3105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4656 2.3105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2860 0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9040 0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0950 0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2924 4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6178 3.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2922 4.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3569 -3.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2229 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2229 -3.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 -1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3569 -3.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 -2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 -3.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0950 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 -4.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0950 -3.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6156 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3156 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 1.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0105 0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2109 0.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4733 1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5426 0.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3704 4.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 4.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 2.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1756 3.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8963 4.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2166 4.8267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4384 4.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 4.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 3.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5581 -1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1964 -2.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8335 -2.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0108 -2.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0108 -4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8335 -3.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5581 -2.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 -4.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5581 -4.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 22 1 0 0 0 0
2 18 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 14 1 0 0 0 0
4 10 1 0 0 0 0
4 18 1 0 0 0 0
4 42 1 0 0 0 0
5 19 2 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
6 26 1 1 0 0 0
7 9 1 0 0 0 0
7 12 1 0 0 0 0
7 27 1 6 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
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11 34 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 19 1 0 0 0 0
15 43 1 0 0 0 0
16 17 1 0 0 0 0
16 44 1 0 0 0 0
16 45 1 0 0 0 0
17 46 1 0 0 0 0
17 47 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 23 1 0 0 0 0
21 22 1 0 0 0 0
22 24 2 0 0 0 0
23 25 2 0 0 0 0
23 48 1 0 0 0 0
24 25 1 0 0 0 0
24 49 1 0 0 0 0
25 50 1 0 0 0 0
M END
$$$$