B0MD1V -OEChem-04022112093D 43 45 0 0 0 0 0 0 0999 V2000 0.5544 3.3971 0.5014 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5209 1.5446 -1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 3.4072 0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 -4.7963 1.3316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8396 2.4187 -0.5258 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.0311 0.9028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1421 -5.0422 -0.4445 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 -1.8655 -2.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 1.6465 1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 2.6405 1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 2.0747 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 0.2827 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 -0.6529 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 1.3117 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 0.4603 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 1.1392 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7818 2.2033 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 -0.2245 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 0.9920 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -0.7885 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 -2.0748 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -0.2549 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -1.1308 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -2.8505 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 1.7404 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -4.3033 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 -2.3059 -1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 3.4338 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 2.1739 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -0.0550 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 -0.9476 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 3.2467 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 1.6734 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 -1.4763 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -2.5036 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 -0.5470 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 -2.0933 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 3.9283 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 2.0703 -2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 0.8029 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 2.5117 -2.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -4.6586 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -6.0321 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 3 38 1 0 0 0 0 4 26 2 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 15 1 0 0 0 0 6 17 2 0 0 0 0 7 26 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 18 2 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$