BY4PK6 -OEChem-04022102523D 42 44 0 1 0 0 0 0 0999 V2000 1.1193 -1.0002 1.6451 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8073 1.0937 1.0156 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 0.1801 2.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -2.2859 2.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 3.1610 0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 2.3832 -0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -1.1447 0.1415 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.4232 0.2038 -0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -0.6963 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -0.2717 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 0.7899 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 0.6171 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 0.1089 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -1.7818 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.5758 0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 2.0146 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4353 1.5867 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 0.2450 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -2.2190 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5589 -0.6383 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 0.6128 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 0.0040 -2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 0.7396 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 0.1311 -2.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5233 0.4986 -1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4942 -1.1623 -1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -1.5942 -2.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 1.4701 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 0.9901 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 0.1633 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 -2.8042 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 -2.4234 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -2.4280 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 -1.9295 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3425 -3.1466 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6114 -1.4450 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4696 -0.0387 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 0.8046 1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.2848 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 -0.0567 -3.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5910 0.5975 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4009 -1.9771 -3.7701 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 9 1 0 0 0 0 2 23 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 26 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 3 0 0 0 0 27 42 1 0 0 0 0 M END $$$$