B2XCZ4
-OEChem-04022108212D
55 57 0 0 0 0 0 0 0999 V2000
11.5263 0.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0263 1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0263 -0.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0823 -0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7023 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
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1 13 1 0 0 0 0
1 28 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
5 31 1 0 0 0 0
5 55 1 0 0 0 0
6 31 2 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
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14 25 2 0 0 0 0
14 34 1 0 0 0 0
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16 30 1 0 0 0 0
16 35 1 0 0 0 0
17 26 2 0 0 0 0
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18 25 1 0 0 0 0
18 38 1 0 0 0 0
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19 36 1 0 0 0 0
20 27 2 0 0 0 0
20 37 1 0 0 0 0
21 23 1 0 0 0 0
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22 24 2 0 0 0 0
22 40 1 0 0 0 0
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24 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
28 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
29 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
30 53 1 0 0 0 0
30 54 1 0 0 0 0
M END
$$$$