B1QJ7T -OEChem-04022106223D 29 31 0 0 0 0 0 0 0999 V2000 2.2273 3.1184 -0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 0.4845 2.4676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 0.9549 -0.7032 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 0.2093 -1.8738 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -0.3072 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 -0.3392 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 1.1007 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1884 1.9084 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -1.4753 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 -1.5184 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 1.6432 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 -2.6816 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 -2.7028 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.7769 1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 0.2858 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 -0.5276 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 0.6227 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1868 -0.9730 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 -0.5798 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 1.1584 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 -1.5163 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 -1.5334 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 2.7117 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -3.6174 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -3.6539 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -0.8271 1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 1.2554 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9981 -1.6080 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8255 -0.9004 -2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 17 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$