BRI78N
-OEChem-04022106122D
46 48 0 1 0 0 0 0 0999 V2000
6.2140 -2.5784 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 -3.5784 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1249 -1.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1370 1.0094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4460 1.9604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0338 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 0.4216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.7551 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4460 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6216 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2248 3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8428 2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0800 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8121 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4428 1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9781 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0800 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8121 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4918 1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0270 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2839 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4985 0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0651 0.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3215 1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1232 3.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9860 4.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1200 3.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5892 3.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7232 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8604 2.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4784 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3444 1.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2073 2.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5431 -0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3490 -0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5717 1.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4388 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3490 -2.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0310 1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8981 -1.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
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3 26 1 0 0 0 0
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4 26 2 0 0 0 0
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23 45 1 0 0 0 0
25 26 1 0 0 0 0
M END
$$$$