LLN19I -OEChem-05032301553D 46 49 0 1 0 0 0 0 0999 V2000 0.0793 -0.7910 -0.6854 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 1.6393 0.5009 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -0.2336 1.5928 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -0.1887 -0.5418 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4112 0.4065 0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5725 -1.2932 -0.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 3.0929 -0.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 -3.9065 -0.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 0.6186 0.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 1.8552 -0.1106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 -2.8604 -0.3091 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 -0.3755 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 0.5643 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -1.1744 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 1.4487 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -0.2615 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6726 -0.2553 0.8769 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8791 -0.8416 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7485 0.7233 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 0.7287 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 -0.4477 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 0.8620 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 2.0099 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -1.5110 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 1.1075 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 0.0426 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -1.2660 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9358 0.3066 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8386 1.2020 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -0.0285 -2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 -1.8863 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0163 -1.7733 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 2.0370 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 2.1611 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 0.3537 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -0.8683 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5623 -1.0481 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1906 -0.0901 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5882 -1.6734 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8146 1.5615 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5098 1.1544 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 0.2360 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 2.1289 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 -2.0812 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 -3.0800 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -4.3716 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 23 2 0 0 0 0 8 11 1 0 0 0 0 8 46 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$