B9RSC2 -OEChem-04022108352D 65 68 0 0 0 0 0 0 0999 V2000 9.4182 1.2055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2372 2.9280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2098 3.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3908 1.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -4.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -4.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -4.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 2.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8195 2.2235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.0150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 -0.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 -1.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4018 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2207 3.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4073 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2262 3.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8030 2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2043 3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 2.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1988 3.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0998 4.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3088 2.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4237 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -2.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -4.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -4.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3585 0.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0034 1.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7780 3.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0498 3.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 1.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5782 0.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2695 3.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 3.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2636 3.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8154 3.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1340 4.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7164 4.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0350 5.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4832 4.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6922 2.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3736 1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9254 2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4669 1.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 1.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 -0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -1.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5781 0.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 -2.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -2.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -5.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -0.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -1.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 6 34 1 0 0 0 0 6 65 1 0 0 0 0 7 36 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 27 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 2 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 28 32 2 0 0 0 0 28 35 1 0 0 0 0 29 33 1 0 0 0 0 30 58 1 0 0 0 0 31 36 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 34 2 0 0 0 0 33 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END $$$$