LDQZ72 -OEChem-05022323352D 45 48 0 1 0 0 0 0 0999 V2000 2.9796 -1.7267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 -2.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -0.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -1.1296 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5975 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 -2.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 -2.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 -1.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -1.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 -3.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 -3.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 -2.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 2.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 6 19 2 0 0 0 0 7 26 1 0 0 0 0 7 44 1 0 0 0 0 8 28 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$