BNHQ54 -OEChem-04022107363D 39 41 0 1 0 0 0 0 0999 V2000 -3.3129 -2.2252 -1.1904 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 1.9895 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 1.2807 0.3802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 4.4723 -0.7117 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9633 1.6386 2.2308 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 1.8905 -0.6029 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0343 1.2843 -0.8812 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9375 1.1770 -1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 0.0577 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 3.3201 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.3822 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 -1.1767 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 0.1404 1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 0.6293 1.4689 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8840 -2.3281 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 -1.0110 1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2058 -0.4276 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 -2.2452 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 -1.5088 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2538 -2.0404 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -3.0492 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 -3.2502 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 1.9814 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 1.7579 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 0.2500 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 0.7848 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 -1.2711 -1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 1.0972 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 0.1686 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -3.2887 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 -0.9465 2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -0.9061 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 0.0552 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 -3.1417 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3063 2.2895 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 1.1911 2.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -1.7399 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -3.6042 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 -3.9509 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 4 10 3 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$