B85HFY -OEChem-04022106543D 33 34 0 1 0 0 0 0 0999 V2000 -5.4178 -0.9639 0.8378 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5037 1.0990 0.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 0.2516 -0.0585 N 0 0 1 0 0 0 0 0 0 0 0 0 -4.8677 0.0444 0.3326 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5073 -1.1194 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 0.2901 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 1.1490 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 -1.1651 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.1709 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 1.0052 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 -0.0479 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 -0.1145 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -1.2236 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 1.0471 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -1.1712 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 1.0996 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 -0.0095 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 -0.2988 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 1.3228 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -1.5038 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -1.8061 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 2.1857 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 0.9812 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -1.1102 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4052 -2.1248 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 0.4551 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.1949 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 1.7847 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 -0.1098 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -2.1331 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 1.9181 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 -2.0540 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 2.0213 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$