LD3RL2 -OEChem-05022323513D 46 49 0 0 0 0 0 0 0999 V2000 5.7368 -1.5014 0.1435 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9012 -0.6494 -0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2169 0.0360 0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2681 1.1439 0.5423 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.4824 0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 -0.9151 -0.3854 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 0.8720 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -0.8742 0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 -1.3653 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0724 0.9085 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 -1.4254 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5297 0.7268 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 0.3116 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 -0.0410 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 0.9510 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 0.2345 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.2261 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 0.8679 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -0.4147 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -1.7201 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 -0.1818 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.2209 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 0.9946 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -1.8389 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8203 2.3499 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -0.3991 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4882 -1.8379 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 -1.9309 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 1.9627 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 0.6424 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4863 -2.4592 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -1.0648 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7086 1.1005 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 1.2868 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -0.5247 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6467 1.2338 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 -0.0454 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 1.7185 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 -2.5636 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.8350 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -2.7679 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 3.0826 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 2.3854 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 2.6617 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1217 -0.2570 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5054 -1.8649 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 18 1 0 0 0 0 4 22 2 0 0 0 0 5 19 2 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 6 24 2 0 0 0 0 7 23 1 0 0 0 0 7 26 2 0 0 0 0 8 26 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$