B3M6DB -OEChem-04022115413D 41 44 0 0 0 0 0 0 0999 V2000 1.7213 2.3401 0.5326 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 -1.0252 2.9283 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 1.3650 0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 -0.5684 0.6447 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -0.1497 0.2368 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -1.4693 0.0602 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -1.9217 -0.8878 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 -2.7453 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6953 1.6080 -0.2185 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 -0.3349 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.0097 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 -0.1600 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 0.0241 2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 -0.6052 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.9673 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 0.3594 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 0.0715 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 0.2355 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2885 0.5980 -2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 0.4535 -2.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 0.6744 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 0.3841 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 1.5446 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 -0.9872 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 2.6776 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 1.5796 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9613 -2.9716 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8453 -1.4063 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5468 0.2181 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0396 -0.3120 3.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 1.1102 2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 -1.6758 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 -1.4899 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9054 0.4570 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.0125 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9319 0.8884 -3.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 0.6375 -3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -1.1326 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 3.6912 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 -1.0190 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 -3.9316 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 5 38 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 24 2 0 0 0 0 7 27 1 0 0 0 0 8 27 2 0 0 0 0 9 26 3 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 39 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$