BR20BD
-OEChem-04022104083D
55 56 0 0 0 0 0 0 0999 V2000
3.6238 -1.3383 -1.4015 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 -2.7763 0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4872 -1.2580 0.9294 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1786 2.3931 0.4684 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8247 0.7297 -0.2739 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2563 1.1882 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5033 -0.1410 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4794 1.1133 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3054 -0.0912 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4636 3.3606 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5509 2.2244 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3071 -1.3162 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8783 -2.0377 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -0.5637 -1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3785 -1.2542 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -2.0066 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 -0.5328 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 -1.2220 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6695 -0.2721 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 -3.4842 1.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0917 -0.3432 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1978 1.0028 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7830 2.1332 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9645 0.1410 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1350 2.4017 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3165 0.4094 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9018 1.5398 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5701 1.4499 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5603 1.9660 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1628 -0.4009 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1715 -0.9538 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1383 0.3334 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1977 0.7912 1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6391 0.0886 -2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6529 0.7436 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3448 3.0115 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0081 4.3119 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4749 3.5982 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5845 1.8248 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0847 3.1813 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1099 1.5475 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -0.0082 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1502 -2.5472 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6282 0.0483 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1031 -2.0401 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3896 0.5754 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 -4.0163 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5128 -4.2438 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -2.8016 2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3459 1.4120 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1971 2.8131 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5847 -0.7525 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5909 3.2818 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9148 -0.2608 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9545 1.7488 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 13 1 0 0 0 0
2 20 1 0 0 0 0
3 21 2 0 0 0 0
4 8 1 0 0 0 0
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9 35 1 0 0 0 0
10 36 1 0 0 0 0
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12 13 2 0 0 0 0
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14 17 2 0 0 0 0
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22 23 2 0 0 0 0
22 24 1 0 0 0 0
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24 26 2 0 0 0 0
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25 27 2 0 0 0 0
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26 27 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
M END
$$$$