LACN42 -OEChem-05022323213D 33 35 0 0 0 0 0 0 0999 V2000 5.4228 1.1166 -0.2077 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 1.2604 0.4351 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 -0.9716 -0.1677 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 0.1306 -0.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 2.2536 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0239 -0.3473 -0.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 3.5841 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 1.6982 1.3912 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 1.7342 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 -1.0436 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -1.7305 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 0.2854 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 -1.7281 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 0.3055 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.0636 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 0.9700 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 -1.7856 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 -3.0148 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -3.0527 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -1.3270 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 -0.0573 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 0.3822 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 2.4012 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 -2.7786 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 0.8737 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 -1.6145 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7152 2.0222 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 -3.8348 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -3.9038 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 -2.0769 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 1.2591 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 2.7087 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0976 2.2240 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$