LEMR73 -OEChem-05022323452D 48 51 0 1 0 0 0 0 0999 V2000 7.9089 3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 -0.8610 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1291 0.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 3.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9953 3.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 2.6217 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8558 -0.8610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.4488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7278 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1346 0.8991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3101 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2971 2.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2138 1.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2892 0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 2.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2669 3.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1476 1.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2309 1.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 4.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 5.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 4.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -2.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -4.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -4.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -3.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -0.6799 0.0000 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 7 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 6 26 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 43 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 46 1 0 0 0 0 11 27 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 1 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$