BPKL97 -OEChem-04042106153D 47 49 0 1 0 0 0 0 0999 V2000 2.2713 -1.2528 -3.2761 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 1.9322 1.0854 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 2.4488 2.5994 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 0.4224 2.5087 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.8058 -0.0401 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.6509 2.4453 -0.1521 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 2.2636 0.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -2.0780 0.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 1.0647 -1.8208 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 3.3926 -1.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -0.4668 -0.0806 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 1.0950 -0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -0.2232 -1.2117 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8098 0.0338 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 1.0781 0.8160 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4902 -0.9718 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 -1.0743 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 1.4788 1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 -2.2386 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -0.3811 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 2.1634 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -2.9145 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 -1.0570 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 -2.3237 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -4.2685 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3279 -0.9902 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 -0.1033 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -0.5202 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8276 0.3485 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3565 1.9126 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6345 1.5901 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 0.4189 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -0.8773 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 0.7143 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -0.5565 -2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -2.0578 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 0.6019 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -2.8998 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -5.0297 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 -4.3297 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 -4.5043 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 3.5006 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 4.2316 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 0.4592 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 -1.4880 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8146 0.0592 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 2.8686 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 6 31 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 26 2 0 0 0 0 9 13 1 0 0 0 0 9 21 2 0 0 0 0 10 21 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 11 44 1 0 0 0 0 12 27 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 M END $$$$