BOZ4X6
-OEChem-04012113202D
50 53 0 1 0 0 0 0 0999 V2000
3.6730 2.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6305 -1.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6891 -2.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2163 -0.2421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8553 -0.4316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4188 -2.6041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9819 0.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8368 0.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5092 1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8876 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9819 1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1822 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8893 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6324 -1.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2136 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4711 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2122 0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5801 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9818 -0.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1198 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7212 2.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 -0.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4127 -0.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3030 -0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0430 -0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6383 1.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3885 0.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6247 2.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2262 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5188 0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 -0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2099 3.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6901 0.3723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9202 0.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0660 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3106 1.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6147 0.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7526 -1.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0499 -0.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8246 0.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1798 1.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3863 -3.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9712 -2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 39 1 0 0 0 0
2 18 2 0 0 0 0
3 23 2 0 0 0 0
4 7 1 0 0 0 0
4 17 1 0 0 0 0
4 38 1 0 0 0 0
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5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 23 1 0 0 0 0
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9 16 1 0 0 0 0
9 24 1 1 0 0 0
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10 16 1 0 0 0 0
10 25 1 6 0 0 0
11 26 1 0 0 0 0
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12 28 1 0 0 0 0
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13 30 1 0 0 0 0
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20 22 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 22 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
M END
$$$$