D0KL4J -OEChem-10121501242D 46 48 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$