B4K6PQ -OEChem-04022117453D 42 44 0 0 0 0 0 0 0999 V2000 5.7174 -0.5909 -1.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 0.0198 1.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 1.5613 0.7225 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 -0.3247 0.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 -1.9462 -0.2001 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1059 2.6364 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 0.2359 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 3.6345 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 2.0366 -1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 3.3284 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -0.7783 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 -1.6578 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 -0.6582 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 0.2536 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -2.4523 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 -0.5011 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6166 -0.2834 1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -0.9171 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 -1.8988 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 -0.1671 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 -0.8007 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 -0.4257 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 -0.3041 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 1.7465 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 4.5093 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 3.9886 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 3.1947 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 2.8345 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4611 1.3324 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 1.5437 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 4.1463 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 2.6264 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3896 3.7484 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 1.2912 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 -3.4957 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9576 -0.1013 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 -0.0836 2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -1.2086 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -2.4871 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 0.1251 2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -1.0108 -2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -0.5062 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 42 1 0 0 0 0 2 23 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$