BH3E9F
-OEChem-04022101352D
51 55 0 0 0 0 0 0 0999 V2000
5.0644 2.1994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -3.6612 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 -3.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -4.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2623 3.2742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4939 -4.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 2.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6593 3.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4036 3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4939 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7088 3.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1974 4.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5026 4.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2469 5.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2679 1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1035 2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3039 0.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3739 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6139 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 -3.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2473 3.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6588 5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 4.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1190 5.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1139 -4.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1839 -5.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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33 47 1 0 0 0 0
M END
$$$$