LBH17Q -OEChem-05022322043D 47 49 0 1 0 0 0 0 0999 V2000 -2.7098 4.6080 0.4161 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 -1.8658 1.1192 P 0 0 1 0 0 0 0 0 0 0 0 0 3.6011 0.6799 0.1397 P 0 0 2 0 0 0 0 0 0 0 0 0 2.1685 1.5717 -2.2802 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 -2.0599 0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 -4.4990 -0.8911 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -2.3813 1.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.4429 0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -1.4512 2.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4977 -2.8366 0.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 1.7462 -0.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6874 -0.0487 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 1.2711 1.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 0.6807 -1.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 3.0365 -2.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 1.0151 -3.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -0.1980 -0.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 0.4896 1.2962 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7748 1.8440 -0.6537 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 2.8594 1.6335 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 1.3371 2.6713 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -3.5273 -1.1785 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8420 -1.6505 -0.1992 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0793 -3.1621 0.1041 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5020 -2.2347 -1.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3519 -2.7104 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 0.7036 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9084 0.5464 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 1.9468 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 3.1097 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 1.6226 1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 -3.9339 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -2.0478 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -3.9785 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -2.3699 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -1.5847 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 -1.8208 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 -3.5064 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 -4.2193 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6582 0.0871 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.4335 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 0.3832 2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 2.0749 3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -2.1549 3.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 -0.6889 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 0.3543 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 3.2054 -3.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 22 1 0 0 0 0 6 39 1 0 0 0 0 7 26 1 0 0 0 0 9 44 1 0 0 0 0 12 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 18 41 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 31 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$