B8E7SU -OEChem-04022100242D 51 55 0 1 0 0 0 0 0999 V2000 5.9662 1.1321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 2.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0485 0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6108 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9992 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7698 0.5093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 -1.1380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -0.9324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8839 -1.1112 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3839 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -2.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -2.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 1.8366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2176 2.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0266 1.1785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1312 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4640 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 -0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 -0.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 -0.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 -1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 0.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 1.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 0.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -1.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -0.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 -1.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -2.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 -2.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4089 -2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -3.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -3.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 2.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2108 1.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 3.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 1.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6681 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8497 1.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1761 -1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0536 0.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 18 2 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 24 2 0 0 0 0 5 27 2 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 24 1 0 0 0 0 7 27 1 0 0 0 0 7 50 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 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 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$