B2RH3Q
-OEChem-04022108292D
56 60 0 1 0 0 0 0 0999 V2000
5.8270 -0.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7733 -4.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3569 -3.2114 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
8.3569 -3.2114 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
4.9610 -1.2114 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
4.0950 -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
7.3569 -3.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8569 -4.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8569 -2.3453 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
4.9610 -4.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8569 -4.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8569 -2.3453 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
3.5581 -2.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2743 -4.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9645 -4.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9645 -1.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2743 -2.1333 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
4.9610 -4.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7492 -4.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4395 -4.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4395 -2.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7492 -1.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
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2 22 1 0 0 0 0
3 27 1 0 0 0 0
3 28 1 0 0 0 0
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5 45 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
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7 22 2 0 0 0 0
8 10 1 0 0 0 0
8 13 1 0 0 0 0
8 29 1 1 0 0 0
9 11 1 0 0 0 0
9 14 1 0 0 0 0
9 30 1 6 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
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14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
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20 25 2 0 0 0 0
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23 27 1 0 0 0 0
23 47 1 0 0 0 0
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24 28 1 0 0 0 0
24 49 1 0 0 0 0
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25 26 1 0 0 0 0
25 51 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 55 1 0 0 0 0
28 56 1 0 0 0 0
M END
$$$$