L5D2KO -OEChem-05032300152D 55 58 0 1 0 0 0 0 0999 V2000 4.2740 3.0204 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 0.5171 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8624 0.5104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -0.9862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 0.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -0.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.0412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -1.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 -2.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.5238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2702 2.0204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3984 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 -0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -3.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 2.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 -0.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3486 2.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 -0.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 -0.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5877 1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8523 -2.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3718 1.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5969 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 -1.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3006 1.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5276 2.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6806 2.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 2.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7216 2.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9486 1.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3718 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5877 -2.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6806 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5276 -3.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3006 -2.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 11 2 1 1 0 0 0 2 39 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 4 18 2 0 0 0 0 5 16 2 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 20 2 0 0 0 0 8 23 2 0 0 0 0 8 29 1 0 0 0 0 9 28 2 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 20 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 40 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 21 28 1 0 0 0 0 21 29 2 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 29 51 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$