LLE0R4 -OEChem-05032301282D 56 58 0 1 0 0 0 0 0999 V2000 9.8781 2.1170 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6010 2.2950 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.3435 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0873 2.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 1.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4645 1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 2.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5138 1.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0093 3.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1927 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0624 1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.5148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0467 2.6512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 0.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3947 1.6632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3919 0.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3452 1.3525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1552 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3239 2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2367 2.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9596 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7696 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 0.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -0.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8972 1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5028 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 2.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 1.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 3.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6715 2.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8786 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8891 1.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6820 1.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6458 3.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9830 3.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1332 2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2718 3.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4061 3.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 21 4 1 6 0 0 0 4 41 1 0 0 0 0 22 5 1 6 0 0 0 5 42 1 0 0 0 0 6 25 1 0 0 0 0 8 45 1 0 0 0 0 10 29 2 0 0 0 0 11 31 1 0 0 0 0 12 52 1 0 0 0 0 14 33 2 0 0 0 0 23 15 1 1 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 27 2 0 0 0 0 16 28 1 0 0 0 0 17 26 1 0 0 0 0 17 30 2 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 44 1 0 0 0 0 19 30 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 1 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$