CQD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 38 40 0 0 0 0 0 0 0 0999 V2000 0.3309 0.8598 0.1044 O 0 0 0 0 0 1.1943 0.0105 0.0215 C 0 0 0 0 0 2.6264 0.3939 0.0857 C 0 0 0 0 0 2.9795 1.6621 0.2286 N 0 0 0 0 0 4.2449 2.0249 0.2874 C 0 0 0 0 0 5.2650 1.0928 0.2032 C 0 0 0 0 0 4.9507 -0.2512 0.0537 C 0 0 0 0 0 3.6056 -0.6072 -0.0061 C 0 0 0 0 0 3.1991 -2.0211 -0.1646 C 0 0 0 0 0 4.0443 -2.8921 -0.2439 O 0 0 0 0 0 1.7782 -2.3717 -0.2236 C 0 0 0 0 0 1.3112 -4.0339 -0.4083 CL 0 0 0 0 0 0.8238 -1.4150 -0.1375 C 0 0 0 0 0 -0.5084 -1.7727 -0.1903 N 0 0 0 0 0 -1.5469 -0.7615 0.0220 C 0 0 0 0 0 -2.9201 -1.4364 0.0329 C 0 0 0 0 0 -3.9623 -0.4229 0.2463 N 0 0 0 0 0 -5.2658 -1.0527 0.5000 C 0 0 0 0 0 -6.3068 0.0352 0.7753 C 0 0 0 0 0 -6.3491 0.9401 -0.3318 O 0 0 0 0 0 -5.0957 1.5720 -0.6057 C 0 0 0 0 0 -4.0412 0.4988 -0.8960 C 0 0 0 0 0 4.4907 3.0696 0.4034 H 0 0 0 0 0 6.2967 1.4095 0.2537 H 0 0 0 0 0 5.7265 -0.9993 -0.0152 H 0 0 0 0 0 -0.7562 -2.6934 -0.3696 H 0 0 0 0 0 -1.3795 -0.2643 0.9775 H 0 0 0 0 0 -1.5093 -0.0269 -0.7818 H 0 0 0 0 0 -3.0885 -1.9345 -0.9217 H 0 0 0 0 0 -2.9576 -2.1710 0.8377 H 0 0 0 0 0 -5.5667 -1.6317 -0.3744 H 0 0 0 0 0 -5.1905 -1.7126 1.3643 H 0 0 0 0 0 -7.2871 -0.4240 0.9064 H 0 0 0 0 0 -6.0355 0.5789 1.6802 H 0 0 0 0 0 -5.1989 2.2237 -1.4727 H 0 0 0 0 0 -4.7879 2.1600 0.2582 H 0 0 0 0 0 -3.0724 0.9737 -1.0483 H 0 0 0 0 0 -4.3225 -0.0545 -1.7917 H 0 0 0 0 0 21 22 1 0 0 0 21 20 1 0 0 0 5 4 2 0 0 0 5 6 1 0 0 0 4 3 1 0 0 0 6 7 2 0 0 0 22 17 1 0 0 0 20 19 1 0 0 0 3 8 2 0 0 0 3 2 1 0 0 0 7 8 1 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 8 9 1 0 0 0 2 13 1 0 0 0 2 1 2 0 0 0 17 16 1 0 0 0 17 18 1 0 0 0 13 14 1 0 0 0 13 11 2 0 0 0 19 18 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 5 23 1 0 0 0 6 24 1 0 0 0 7 25 1 0 0 0 14 26 1 0 0 0 15 27 1 0 0 0 15 28 1 0 0 0 16 29 1 0 0 0 16 30 1 0 0 0 18 31 1 0 0 0 18 32 1 0 0 0 19 33 1 0 0 0 19 34 1 0 0 0 21 35 1 0 0 0 21 36 1 0 0 0 22 37 1 0 0 0 22 38 1 0 0 0 M END $$$$