B80SCN -OEChem-04022114403D 35 37 0 1 0 0 0 0 0999 V2000 0.8345 -1.1436 1.8573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2827 1.0847 -0.4730 N 0 0 1 0 0 0 0 0 0 0 0 0 0.1654 0.3191 0.1029 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 0.3581 0.8024 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5368 -0.6402 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 0.2003 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -0.3859 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 1.3119 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -0.2892 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 0.0757 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6934 -1.2034 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 1.1168 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -1.4415 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 0.8789 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -2.3393 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 2.4981 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9713 -0.4004 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 1.0543 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -0.4813 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1928 -1.6769 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -0.6044 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 0.7576 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 -1.2992 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 0.3399 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 1.2532 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 2.3149 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -2.4331 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2335 1.6795 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 -3.1152 -1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 -2.8023 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 -2.0283 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 3.0772 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 3.0349 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 2.4938 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0369 -0.5856 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$