LM21HR -OEChem-05032301593D 52 54 0 1 0 0 0 0 0999 V2000 -4.4637 0.5020 -2.1474 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 -2.2191 0.9001 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 0.3893 1.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 -2.7993 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 0.7372 2.6477 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 0.3790 2.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 3.4926 -2.4257 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 1.7172 -3.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -0.7159 0.6739 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 2.3922 1.7281 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 2.6605 -0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 4.4899 0.9147 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -0.4751 0.5588 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2812 0.2107 -0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 -0.8526 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -0.9810 -1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 0.4831 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 1.6089 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 -2.1819 -2.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2861 1.3301 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -1.9605 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 -1.8759 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 0.2872 1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 1.0284 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -2.1182 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2958 -2.7733 -2.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6515 -2.7357 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -1.2644 1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -2.8145 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -1.3432 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 3.1660 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 2.2366 -2.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 -1.4506 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 0.2841 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9747 -0.4326 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0276 2.2788 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 1.5548 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 0.0401 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 -1.9359 -3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 -2.9696 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 -3.0499 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 -3.6729 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9386 -2.0650 -3.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -3.2847 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -0.6780 2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -3.4382 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0512 -0.8094 2.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 2.8584 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 0.8692 2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9194 5.1284 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 4.8699 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 3.9100 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 3 49 1 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 32 1 0 0 0 0 7 52 1 0 0 0 0 8 32 2 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 38 1 0 0 0 0 10 24 1 0 0 0 0 10 31 1 0 0 0 0 10 48 1 0 0 0 0 11 20 1 0 0 0 0 11 31 2 0 0 0 0 12 31 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 18 32 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 26 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$