LGB3U2 -OEChem-05022323093D 43 43 0 1 0 0 0 0 0999 V2000 -3.0728 3.2262 -1.8748 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 -0.6033 1.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -3.7838 -1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 3.5795 0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -4.7860 -0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 2.6562 -1.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4166 -0.5624 -0.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 2.9321 0.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -0.3952 1.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 -1.3574 -0.3753 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.3432 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 -2.3704 0.0431 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0503 1.2982 0.5351 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6487 -2.1124 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 0.7298 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 -0.7624 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 0.3103 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.5456 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 -3.7608 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 2.5493 -0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 0.3479 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -0.6256 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 -0.2550 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 1.5949 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 0.6214 1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 1.7316 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -2.3602 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 1.5760 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 -2.1925 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 -2.8966 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 1.4730 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 -0.1388 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -1.2659 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 0.2951 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 1.1781 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7955 -0.4574 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 0.2309 -1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -1.4829 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0944 0.7114 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -4.6986 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7325 4.3938 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 -0.9126 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2723 2.8193 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 2 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 42 1 0 0 0 0 8 26 1 0 0 0 0 8 43 1 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$