B6NQC4 -OEChem-04022116043D 41 43 0 1 0 0 0 0 0999 V2000 -1.0946 -0.0014 0.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 3.0463 -1.5169 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 0.1522 1.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0428 -1.3751 -1.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4159 -0.6531 0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 1.5390 0.1817 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 1.3838 0.4823 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.3382 0.3429 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8139 2.3349 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 2.4393 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 0.9565 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 -0.2158 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 0.9252 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -0.3027 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 0.0797 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.7246 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 -0.1382 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 -0.9424 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -0.6492 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -1.5599 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -0.1696 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 -2.7006 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 -1.3103 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 -2.5758 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6288 -0.8764 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 1.7218 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 1.9296 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 3.2665 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 2.0325 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2126 0.7309 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 1.7465 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 0.4664 2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -0.9530 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 0.0941 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -1.3414 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -1.6714 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 0.8111 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 -3.6860 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -1.2132 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 -3.4639 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 -1.5241 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 25 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 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 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$