B3T6JH -OEChem-04022103413D 38 40 0 0 0 0 0 0 0999 V2000 -1.5037 -1.7804 0.4219 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -0.7786 0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 2.2246 -0.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -2.2554 -0.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 0.7366 -1.2069 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8974 0.1166 -2.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -2.6635 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -3.0102 0.1254 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3598 0.4639 -1.3676 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2657 0.3380 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 -0.4414 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 0.0163 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 0.2526 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -0.9185 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -1.3521 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 0.7222 1.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 0.9315 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 0.5511 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 1.3502 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.0225 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 1.8274 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1107 1.0210 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9732 0.9353 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -1.8792 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2254 3.6143 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 0.4961 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 0.4284 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -0.0460 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 0.7915 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 1.3426 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7508 -0.3854 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 2.8801 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 1.3198 3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 1.1752 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -2.3894 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 3.8708 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5968 3.9365 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1695 4.1632 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 24 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 20 1 0 0 0 0 16 22 2 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$