BO9XQ1 -OEChem-04042103573D 54 56 0 0 0 0 0 0 0999 V2000 -6.7821 0.0226 0.3337 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.6211 1.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2561 -0.2111 -1.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -0.7162 1.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2219 -1.2280 -0.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2382 -0.6916 -2.7819 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9387 1.4396 -2.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 0.4341 1.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2305 -0.6153 1.8194 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 0.2309 -2.0311 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0620 -0.7226 1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 1.4845 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0485 -0.2286 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.5531 1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 -1.4369 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -0.7597 2.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -0.6439 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 -0.1053 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -0.3130 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -0.5593 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 -0.7669 1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 -0.8652 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 2.2220 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 1.7581 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -2.1014 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7101 -1.4365 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9791 1.7577 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 3.2331 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 2.7692 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1628 -2.7655 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -2.1007 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 3.5066 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -2.7650 -1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -1.4334 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 -0.3604 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5445 -1.5660 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.0228 3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 -0.2112 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0397 -0.6594 2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 -0.2411 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -1.0508 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 2.0148 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 1.2246 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -2.1096 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 -0.9574 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0478 1.9828 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5558 1.9826 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4775 2.3333 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 3.8024 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 2.9855 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 -3.2833 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 -2.1064 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 4.2933 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -3.2834 -2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 5 22 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 9 40 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 23 2 0 0 0 0 12 24 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 15 25 2 0 0 0 0 15 26 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 41 1 0 0 0 0 23 28 1 0 0 0 0 23 42 1 0 0 0 0 24 29 2 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 31 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 32 2 0 0 0 0 28 49 1 0 0 0 0 29 32 1 0 0 0 0 29 50 1 0 0 0 0 30 33 2 0 0 0 0 30 51 1 0 0 0 0 31 33 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$