BJFU31
-OEChem-04022102093D
44 47 0 0 0 0 0 0 0999 V2000
-0.5207 3.1290 0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0814 0.8780 0.6927 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7710 1.4809 -0.8027 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8248 1.1816 -0.6392 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 -0.4007 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5862 -0.6573 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4549 1.0963 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 -1.6501 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4333 1.1574 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 0.3916 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 -2.6760 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8143 1.9723 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7062 -2.0991 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2091 1.6925 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 1.4203 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7583 -1.9783 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8974 0.1984 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1384 2.7314 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 -3.3093 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3071 -4.3119 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4208 2.4223 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1631 1.2725 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6292 2.7641 -1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 0.3725 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5038 2.0634 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0860 1.9665 -0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 0.2586 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1880 0.5888 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9584 2.3297 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -1.2748 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7003 -4.7635 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2743 -0.7769 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8878 3.7536 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2121 -3.5683 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 -5.3353 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1818 3.1924 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5058 2.0341 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8241 1.2923 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2885 0.2867 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8564 3.6149 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3075 2.8088 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6228 2.8974 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 14 2 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 13 1 0 0 0 0
4 16 1 0 0 0 0
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25 43 1 0 0 0 0
25 44 1 0 0 0 0
M END
$$$$