D0SP2I
-OEChem-10101305032D
74 77 0 1 0 0 0 0 0999 V2000
8.5991 2.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0991 3.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0991 1.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0911 2.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0911 4.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9972 2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9972 3.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 -2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 -2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0840 1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0840 5.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5329 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5329 4.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 6 1 0 0 0 0
1 23 1 0 0 0 0
2 18 2 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
19 6 1 6 0 0 0
6 56 1 0 0 0 0
7 20 1 0 0 0 0
7 26 2 0 0 0 0
8 26 1 0 0 0 0
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10 35 1 0 0 0 0
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24 28 1 0 0 0 0
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25 30 2 0 0 0 0
25 58 1 0 0 0 0
27 31 1 0 0 0 0
27 59 1 0 0 0 0
28 32 2 0 0 0 0
28 35 1 0 0 0 0
29 34 2 0 0 0 0
29 60 1 0 0 0 0
30 32 1 0 0 0 0
30 61 1 0 0 0 0
31 33 1 0 0 0 0
31 36 2 0 0 0 0
32 62 1 0 0 0 0
33 34 1 0 0 0 0
33 37 2 0 0 0 0
34 63 1 0 0 0 0
36 38 1 0 0 0 0
36 68 1 0 0 0 0
37 39 1 0 0 0 0
37 69 1 0 0 0 0
38 39 2 0 0 0 0
38 70 1 0 0 0 0
39 71 1 0 0 0 0
M END
$$$$