L9KTA3 -OEChem-05032301053D 53 55 0 1 0 0 0 0 0999 V2000 4.0788 0.4323 -0.8432 P 0 0 1 0 0 0 0 0 0 0 0 0 1.9748 2.3863 -0.1953 P 0 0 2 0 0 0 0 0 0 0 0 0 0.3842 1.8047 2.2204 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 -1.4734 0.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 -4.1124 -0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 -4.4764 1.2769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -0.7336 0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 2.0634 -1.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 1.3287 -1.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9883 1.3918 0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 -0.0576 -2.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 1.4688 0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.7632 -1.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 3.5624 0.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 0.4351 3.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.8245 3.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 2.2967 1.8043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 -0.9695 -0.4717 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 0.5177 -1.9709 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6388 0.8422 -0.0767 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 -0.3274 1.8916 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -1.9966 0.2710 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0872 -3.1806 -0.5982 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2887 -3.7301 0.1424 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9774 -2.4592 0.6268 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9901 -1.9151 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 -0.4827 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.3549 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 0.4631 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.7859 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 1.2057 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 1.3754 -3.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3969 -0.1065 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9061 -2.3225 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -2.8618 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9144 -4.3867 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -2.5890 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5084 -1.6749 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -2.6402 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 -0.5209 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -4.8928 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -4.7722 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9852 -1.5303 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 1.0872 -3.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 2.4176 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3773 1.2683 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5341 1.3193 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 0.2001 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1761 -1.0109 2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 2.1073 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 3.4577 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 0.3488 3.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 3.2386 3.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 23 1 0 0 0 0 5 41 1 0 0 0 0 6 24 1 0 0 0 0 6 42 1 0 0 0 0 7 26 1 0 0 0 0 8 31 2 0 0 0 0 10 50 1 0 0 0 0 13 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 19 32 1 0 0 0 0 20 31 1 0 0 0 0 20 33 1 0 0 0 0 20 47 1 0 0 0 0 21 33 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 40 1 0 0 0 0 29 31 1 0 0 0 0 30 33 2 0 0 0 0 30 43 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 19 1 M END $$$$