B1B3NP -OEChem-04022104083D 46 48 0 0 0 0 0 0 0999 V2000 3.9049 0.7232 0.7201 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 0.5278 0.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 1.4652 1.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.5766 -1.2843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 1.4383 -0.5023 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 -0.8152 0.8729 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7348 -0.4590 -1.5703 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 -0.5289 2.4034 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 -1.6246 0.2825 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2738 -2.4454 -2.1237 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4564 2.2691 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 2.1726 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 2.5542 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 1.3312 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 0.5034 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 1.9722 -2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5353 0.4381 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -1.8526 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 -0.6395 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 1.2147 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -3.1646 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -1.4499 -1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 0.5958 2.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -3.0785 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -2.7243 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8234 3.1573 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 3.0358 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 3.5884 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9313 1.8850 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 0.2882 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 1.3455 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 1.0320 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 1.9797 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 1.2748 -3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 2.9837 -2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 -0.8088 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -1.5086 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 -2.0219 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 2.1493 1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 -3.9302 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -3.5013 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 -2.2054 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 -1.1749 2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 0.8618 3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 -2.3742 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -4.0589 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 15 2 0 0 0 0 7 22 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 8 43 1 0 0 0 0 9 19 1 0 0 0 0 9 22 2 0 0 0 0 10 25 3 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$