LL3D4G -OEChem-05032301252D 49 51 0 1 0 0 0 0 0999 V2000 3.3660 -0.8592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8728 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1801 2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9467 -0.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 0.3044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 0.4659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6344 -1.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4434 -1.7774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4114 -2.4768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3557 0.5704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7788 1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9434 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2525 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 -1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9912 1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 0.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 -0.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4465 3.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7112 3.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3288 1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0146 2.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 1.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3079 0.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0448 -1.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0011 -2.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9507 -2.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 18 2 0 0 0 0 5 29 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 14 7 1 6 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 44 1 0 0 0 0 9 25 2 0 0 0 0 10 26 1 0 0 0 0 10 28 2 0 0 0 0 11 29 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 26 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 29 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 M END $$$$