B2MJE6 -OEChem-04022103173D 31 32 0 0 0 0 0 0 0999 V2000 4.2818 0.5994 -0.3263 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2029 -1.2503 0.8026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 0.1822 -1.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3826 2.0032 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 -0.1925 -0.1273 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 1.7752 -0.9337 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -0.3317 0.7931 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4101 -1.6133 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -1.8584 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 0.0520 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 -0.8230 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 -1.0399 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.7064 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -1.4774 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 0.2688 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 0.6290 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 0.5216 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 1.8488 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 -1.9988 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -2.1047 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -2.9368 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -1.4435 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 -1.5720 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 1.5548 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4775 -2.3491 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 0.7816 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5858 0.3023 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 0.0935 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 2.7762 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -1.0886 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.1561 1.5987 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 7 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$