JBW Converted by convert_cif2sdf.py 2024/03/29 11:09:15 37 40 0 0 0 0 0 0 0 0999 V2000 4.4512 1.3992 1.6026 O 0 0 0 0 0 3.7636 0.7443 0.8399 C 0 0 0 0 0 4.3381 -0.1570 0.0197 N 0 0 0 0 0 5.7904 -0.3500 0.0458 C 0 0 0 0 0 6.3317 -1.7047 -0.4165 C 0 0 0 0 0 6.5117 -0.4666 -1.2984 C 0 0 0 0 0 2.3144 0.9331 0.8177 C 0 0 0 0 0 1.6161 1.8096 1.6038 C 0 0 0 0 0 0.2641 1.7856 1.3785 C 0 0 0 0 0 1.1903 0.0744 -0.2272 S 0 0 0 0 0 -0.1404 0.9117 0.4347 C 0 0 0 0 0 -1.4640 0.7229 0.0480 N 0 0 0 0 0 -2.2657 1.6380 -0.5658 C 0 0 0 0 0 -1.8510 3.0372 -0.9400 C 0 0 0 0 0 -2.2106 -0.4312 0.2109 C 0 0 0 0 0 -1.9475 -1.6802 0.7546 C 0 0 0 0 0 -2.9296 -2.6511 0.7695 C 0 0 0 0 0 -4.1828 -2.3942 0.2454 C 0 0 0 0 0 -4.4733 -1.1484 -0.3062 C 0 0 0 0 0 -3.4775 -0.1499 -0.3269 C 0 0 0 0 0 -3.4435 1.1242 -0.7815 N 0 0 0 0 0 -5.7720 -0.8840 -0.8492 C 0 0 0 0 0 -6.8021 -0.6738 -1.2785 N 0 0 0 0 0 3.7912 -0.6783 -0.5888 H 0 0 0 0 0 6.3171 0.1510 0.8575 H 0 0 0 0 0 7.2138 -2.0934 0.0906 H 0 0 0 0 0 5.6071 -2.4518 -0.7409 H 0 0 0 0 0 5.9062 -0.4001 -2.2020 H 0 0 0 0 0 7.5131 -0.0426 -1.3717 H 0 0 0 0 0 2.0855 2.4587 2.3286 H 0 0 0 0 0 -0.4256 2.4176 1.9176 H 0 0 0 0 0 -1.4348 3.0357 -1.9474 H 0 0 0 0 0 -2.7192 3.6948 -0.9063 H 0 0 0 0 0 -1.0976 3.3938 -0.2368 H 0 0 0 0 0 -0.9723 -1.8937 1.1665 H 0 0 0 0 0 -2.7161 -3.6211 1.1939 H 0 0 0 0 0 -4.9410 -3.1639 0.2630 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 7 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 9 11 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 15 1 0 0 0 13 14 1 0 0 0 13 21 2 0 0 0 15 16 1 0 0 0 15 20 2 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 22 23 3 0 0 0 3 24 1 0 0 0 4 25 1 0 0 0 5 26 1 0 0 0 5 27 1 0 0 0 6 28 1 0 0 0 6 29 1 0 0 0 8 30 1 0 0 0 9 31 1 0 0 0 14 32 1 0 0 0 14 33 1 0 0 0 14 34 1 0 0 0 16 35 1 0 0 0 17 36 1 0 0 0 18 37 1 0 0 0 M END $$$$