B8QN0D -OEChem-04042107383D 46 48 0 0 0 0 0 0 0999 V2000 -3.6617 -2.2630 -0.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.3011 0.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 3.2669 -1.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 3.2693 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1784 1.9785 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 1.9549 -0.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 3.9443 -0.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 3.9311 0.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.5518 -0.0353 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4141 -1.5605 0.0356 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -2.7517 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.7718 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 0.0308 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 -0.0049 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 -3.9576 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -3.9660 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 -1.3805 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.3830 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -5.1676 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 -5.1719 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 0.3378 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 0.3245 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 0.9876 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 0.9875 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 2.3121 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 2.3094 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9532 1.6622 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 1.6464 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 2.6495 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 2.6388 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.7142 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -0.7228 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -4.0476 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -4.0628 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -6.1076 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 -6.1152 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1528 -0.4279 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1566 -0.4431 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 0.7586 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 0.7681 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 4.1231 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 4.1227 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6005 1.1704 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6102 1.1442 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4486 3.9874 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 3.9686 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 25 1 0 0 0 0 3 41 1 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 27 1 0 0 0 0 5 43 1 0 0 0 0 6 28 1 0 0 0 0 6 44 1 0 0 0 0 7 29 1 0 0 0 0 7 45 1 0 0 0 0 8 30 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 21 2 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 22 2 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 27 1 0 0 0 0 21 37 1 0 0 0 0 22 28 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 M END $$$$