91U Converted by convert_cif2sdf.py 2024/03/29 11:09:15 62 64 0 0 0 0 0 0 0 0999 V2000 -0.8316 2.8603 0.0913 C 0 0 0 0 0 -0.4985 2.6266 1.2337 O 0 0 0 0 0 -1.1688 4.2697 -0.3209 C 0 0 0 0 0 -2.9509 0.0058 0.1806 C 0 0 0 0 0 -3.0713 -1.0865 -0.8840 C 0 0 0 0 0 -4.5061 -1.1265 -1.4136 C 0 0 0 0 0 -5.4665 -1.4283 -0.2621 C 0 0 0 0 0 -5.3471 -0.3359 0.8026 C 0 0 0 0 0 -3.9123 -0.2960 1.3321 C 0 0 0 0 0 -0.9001 1.8598 -0.8088 N 0 0 0 0 0 -0.5716 0.4894 -0.4074 C 0 0 0 0 0 -1.5161 0.0456 0.7111 C 0 0 0 0 0 0.8514 0.4380 0.0861 C 0 0 0 0 0 1.4057 1.4550 0.4466 O 0 0 0 0 0 1.5075 -0.7376 0.1277 N 0 0 0 0 0 2.8940 -0.9304 0.5800 C 0 0 0 0 0 3.8339 -0.1517 -0.3035 C 0 0 0 0 0 3.3963 0.5042 -1.2250 O 0 0 0 0 0 3.2035 -2.4383 0.4794 C 0 0 0 0 0 1.7940 -3.0868 0.5041 C 0 0 0 0 0 0.9574 -2.0436 -0.2781 C 0 0 0 0 0 5.1609 -0.1835 -0.0694 N 0 0 0 0 0 6.0740 0.5736 -0.9291 C 0 0 0 0 0 7.4906 0.3698 -0.4578 C 0 0 0 0 0 8.0382 1.2287 0.4782 C 0 0 0 0 0 9.3360 1.0391 0.9146 C 0 0 0 0 0 10.0916 -0.0012 0.4075 C 0 0 0 0 0 9.5461 -0.8569 -0.5323 C 0 0 0 0 0 8.2452 -0.6704 -0.9648 C 0 0 0 0 0 10.4947 -2.1645 -1.1699 CL 0 0 0 0 0 -1.4435 4.2840 -1.3757 H 0 0 0 0 0 -2.0051 4.6329 0.2773 H 0 0 0 0 0 -0.3033 4.9130 -0.1629 H 0 0 0 0 0 -3.2028 0.9703 -0.2591 H 0 0 0 0 0 -2.3870 -0.8717 -1.7037 H 0 0 0 0 0 -2.8195 -2.0521 -0.4444 H 0 0 0 0 0 -4.7580 -0.1619 -1.8533 H 0 0 0 0 0 -4.5918 -1.9049 -2.1722 H 0 0 0 0 0 -6.4894 -1.4570 -0.6397 H 0 0 0 0 0 -5.2147 -2.3938 0.1775 H 0 0 0 0 0 -5.5980 0.6285 0.3628 H 0 0 0 0 0 -6.0315 -0.5519 1.6231 H 0 0 0 0 0 -3.6605 -1.2616 1.7718 H 0 0 0 0 0 -3.8267 0.4824 2.0907 H 0 0 0 0 0 -1.1663 2.0470 -1.7227 H 0 0 0 0 0 -0.6833 -0.1757 -1.2634 H 0 0 0 0 0 -1.2287 -0.9475 1.0564 H 0 0 0 0 0 -1.4549 0.7504 1.5395 H 0 0 0 0 0 2.9953 -0.6004 1.6146 H 0 0 0 0 0 3.7953 -2.7703 1.3321 H 0 0 0 0 0 3.7143 -2.6627 -0.4564 H 0 0 0 0 0 1.4301 -3.1921 1.5267 H 0 0 0 0 0 1.7974 -4.0492 -0.0084 H 0 0 0 0 0 -0.0941 -2.1156 -0.0005 H 0 0 0 0 0 1.0781 -2.1895 -1.3515 H 0 0 0 0 0 5.5101 -0.7079 0.6670 H 0 0 0 0 0 5.9797 0.2244 -1.9569 H 0 0 0 0 0 5.8237 1.6331 -0.8807 H 0 0 0 0 0 7.4502 2.0442 0.8718 H 0 0 0 0 0 9.7612 1.7083 1.6483 H 0 0 0 0 0 11.1068 -0.1464 0.7457 H 0 0 0 0 0 7.8191 -1.3385 -1.6994 H 0 0 0 0 0 12 11 1 0 0 0 12 4 1 0 0 0 10 1 1 0 0 0 10 11 1 0 0 0 1 3 1 0 0 0 1 2 2 0 0 0 11 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 21 1 0 0 0 15 16 1 0 0 0 21 20 1 0 0 0 20 19 1 0 0 0 19 16 1 0 0 0 16 17 1 0 0 0 17 22 1 0 0 0 17 18 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 29 2 0 0 0 24 25 1 0 0 0 29 28 1 0 0 0 28 27 2 0 0 0 28 30 1 0 0 0 27 26 1 0 0 0 26 25 2 0 0 0 4 5 1 0 0 0 4 9 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 12 47 1 0 0 0 12 48 1 0 0 0 10 45 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 3 33 1 0 0 0 11 46 1 0 0 0 21 54 1 0 0 0 21 55 1 0 0 0 20 52 1 0 0 0 20 53 1 0 0 0 19 50 1 0 0 0 19 51 1 0 0 0 16 49 1 0 0 0 22 56 1 0 0 0 23 57 1 0 0 0 23 58 1 0 0 0 29 62 1 0 0 0 27 61 1 0 0 0 26 60 1 0 0 0 25 59 1 0 0 0 4 34 1 0 0 0 5 35 1 0 0 0 5 36 1 0 0 0 6 37 1 0 0 0 6 38 1 0 0 0 7 39 1 0 0 0 7 40 1 0 0 0 8 41 1 0 0 0 8 42 1 0 0 0 9 43 1 0 0 0 9 44 1 0 0 0 M END $$$$