B8BZR7
-OEChem-04022105332D
45 48 0 0 0 0 0 0 0999 V2000
6.0894 3.3324 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 -0.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -4.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0405 3.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1384 3.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -1.0070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 2.3814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -2.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -3.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -2.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -4.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -3.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7804 4.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 0.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -0.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 0.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 0.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 1.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 -0.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -4.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -1.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0049 2.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -2.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -4.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 -3.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3700 4.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5888 4.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1907 4.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
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2 16 2 0 0 0 0
3 17 2 0 0 0 0
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14 31 1 0 0 0 0
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27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$