BR0K9E
-OEChem-04012115162D
39 41 0 0 0 0 0 0 0999 V2000
2.9176 -2.2673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 2.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3252 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0163 1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6363 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
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3 17 2 0 0 0 0
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10 11 1 0 0 0 0
11 12 2 0 0 0 0
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12 27 1 0 0 0 0
13 15 2 0 0 0 0
13 28 1 0 0 0 0
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18 19 2 0 0 0 0
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21 23 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
25 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
M END
$$$$