D05QFR -OEChem-10101305022D 42 44 0 1 0 0 0 0 0999 V2000 6.5306 -1.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 1.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7386 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 0.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0277 -3.5990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3849 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 2.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7171 -2.6484 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4817 -0.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4817 -1.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5306 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4279 -1.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9428 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0115 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 3.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 3.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 0.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -2.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 0.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -1.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 -0.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -1.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -0.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1479 1.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 3.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 4.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 1.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 4.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 3.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 3.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 2.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 2.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 6 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 13 4 1 1 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 6 0 0 0 11 13 1 0 0 0 0 11 24 1 6 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$