B61ERQ -OEChem-04022108153D 31 32 0 0 0 0 0 0 0999 V2000 3.8956 0.0001 0.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 2.3945 0.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 -2.3944 0.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 0.0010 1.5815 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0054 -0.0007 -0.2055 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2222 0.0007 1.7891 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 0.0003 0.1701 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3077 -0.0003 -3.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 -0.0001 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 -0.0001 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 1.2080 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -1.2080 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 1.2078 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -1.2081 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -0.0003 0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -0.0006 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 0.0007 -1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 3.5832 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -3.5833 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -0.0005 -1.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 2.1171 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1338 -2.1173 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 0.0006 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 0.8979 -1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 -0.8959 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4171 4.4298 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 3.6683 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 3.6681 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -4.4296 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 -3.6685 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2156 -3.6683 1.2109 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 11 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 6 15 2 0 0 0 0 7 16 2 0 0 0 0 8 20 3 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$