BRK80C -OEChem-04042103323D 51 53 0 1 0 0 0 0 0999 V2000 2.4155 0.1965 -1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4618 1.0496 0.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -0.7682 0.5304 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 1.8980 -0.1725 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -2.4636 -0.6307 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 -3.0872 -0.6881 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3792 -3.6580 -0.7512 N 0 5 0 0 0 0 0 0 0 0 0 0 2.1542 -0.0064 0.8681 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1615 -1.0422 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 -2.3501 0.7029 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2118 -2.2076 0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 0.6945 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 2.5425 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 2.6969 -1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 3.6687 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 4.0437 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 -0.1690 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -1.1146 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 -0.3387 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 -1.2520 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 -0.4572 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9175 -0.0860 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7705 -0.0934 -1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1007 0.6492 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9536 0.6416 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6187 1.0129 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 0.7062 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2008 -0.7740 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -1.1444 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -3.2240 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 -2.6986 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -2.5968 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.9355 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 1.8349 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.1999 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 2.7648 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 3.2944 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4295 4.5066 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2142 4.6778 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 4.5774 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -1.7539 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.7466 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 0.2816 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.3573 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 -1.9180 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0076 -1.9081 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5227 -0.3620 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 -0.3753 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6183 0.9388 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3568 0.9254 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5398 1.5854 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M CHG 2 6 1 7 -1 M END $$$$