BJ80GM -OEChem-04012114123D 58 62 0 1 0 0 0 0 0999 V2000 -6.1932 5.0053 0.9818 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 -1.5650 -0.2392 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 0.9777 -0.6529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -2.8613 0.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.1547 -1.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -3.6100 1.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2736 -2.6234 0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 -0.3551 0.9273 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.7456 -1.3541 -0.7278 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 1.0751 0.4962 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4419 1.7467 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 -0.5138 2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 0.8920 2.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.6640 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -1.4652 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -2.2485 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -0.5971 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -2.1251 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -1.2711 -0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -0.4926 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8933 -2.7926 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 0.8880 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 -2.2581 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 -0.5855 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 0.7355 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 1.8942 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 -0.2080 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 0.8296 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 1.8501 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8141 1.8032 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -0.2990 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4936 0.7067 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4702 2.0562 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 3.0767 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6748 3.1797 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 1.1719 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 1.6955 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 2.7988 1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 -1.1983 2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6883 -0.8618 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 1.1384 3.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 1.0187 3.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 2.7265 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1791 1.5648 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -2.9283 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 0.0001 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 0.1604 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5155 -1.1704 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 -0.4570 -2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.7779 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 -0.9933 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7482 -0.0382 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 1.8012 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 2.5893 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3168 -1.1528 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 0.6365 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3658 2.1142 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 3.9407 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 6 21 2 0 0 0 0 7 23 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 31 2 0 0 0 0 27 51 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 29 34 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$