B8JD2A -OEChem-04012115443D 26 27 0 0 0 0 0 0 0999 V2000 -4.1823 -1.3117 0.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 -2.4772 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 1.3753 -0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 1.1388 0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 1.5803 -0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 -0.5380 0.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -0.7251 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -0.4022 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 0.9896 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -0.9779 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 -0.1566 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.8075 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 -1.2553 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 1.2318 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 0.8398 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 -0.0707 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -1.0484 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -2.0587 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 2.8902 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 2.5944 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 1.9275 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -1.7428 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3613 -1.4253 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -1.6947 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4077 -1.6598 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3914 -0.5057 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$