B2KX4H -OEChem-04022109543D 47 47 0 1 0 0 0 0 0999 V2000 -4.2634 -0.8030 -0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 3.4681 -0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 -4.0917 0.6231 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9646 -3.4748 -1.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 1.7419 0.5521 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 1.9330 0.2517 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 2.8108 -1.7304 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -3.4413 -0.3447 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3357 2.1059 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 1.2695 0.0795 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7642 1.5507 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.9853 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2262 -0.2238 0.4558 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0217 2.0122 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 2.5003 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -1.0739 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 0.0624 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 1.7449 1.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -1.8057 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 -1.1267 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 -2.5901 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2533 -1.9111 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -2.6427 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 1.3647 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 3.1610 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 1.5911 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 2.0797 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 0.9479 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -0.2967 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 3.0966 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 1.7389 1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 0.9491 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -0.1006 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -0.3746 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 -0.4979 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 1.3690 1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7103 2.8071 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 1.2174 2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 2.8976 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 1.4764 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 2.4610 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 2.7173 -2.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9197 -1.7736 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 -0.5705 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 -1.7530 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -3.1463 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 -1.9282 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 45 1 0 0 0 0 2 15 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 12 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 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 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$