9TD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 51 53 0 0 0 0 0 0 0 0999 V2000 3.5098 0.3912 -0.4081 C 0 0 0 0 0 2.8860 -0.9604 -0.1752 C 0 0 0 0 0 1.4922 -1.0917 -0.0586 C 0 0 0 0 0 0.6128 0.0771 -0.1590 C 0 0 0 0 0 -1.4916 0.9905 -0.1130 C 0 5 0 0 0 -2.8934 0.9039 -0.6603 C 0 0 0 0 0 -3.7038 -0.0955 0.1673 C 0 0 0 0 0 -5.0960 -0.2458 -0.3999 C 0 0 0 0 0 -5.9712 0.1636 0.5990 C 0 0 0 0 0 -3.9316 0.4371 1.5664 C 0 0 0 0 0 -7.3421 0.1306 0.3501 C 0 0 0 0 0 -7.8128 -0.3047 -0.8721 C 0 0 0 0 0 -6.9321 -0.7108 -1.8573 C 0 0 0 0 0 -5.5696 -0.6792 -1.6169 C 0 0 0 0 0 -1.0354 2.1749 0.4360 C 0 0 0 0 0 0.9643 -2.3805 0.1579 C 0 0 0 0 0 1.8351 -3.4517 0.2458 C 0 0 0 0 0 1.2877 -4.8362 0.4762 C 0 0 0 0 0 3.6733 -2.0869 -0.0796 C 0 0 0 0 0 -0.6886 -0.0794 -0.1579 N 0 3 0 0 0 -5.2597 0.5559 1.7335 N 0 0 0 0 0 3.1380 -3.2759 0.1293 N 0 0 0 0 0 7.4268 0.9596 -0.9145 O 0 0 0 0 0 5.5091 2.2198 -1.9664 O 0 0 0 0 0 4.9289 0.2515 -0.4953 O 0 0 0 0 0 -3.0766 0.7037 2.3845 O 0 0 0 0 0 -0.2983 2.1537 1.4108 O 0 0 0 0 0 -1.4055 3.3600 -0.1064 O 0 0 0 0 0 -0.3760 -2.5667 0.2793 O 0 0 0 0 0 5.8470 2.4968 0.5194 O 0 0 0 0 0 5.9190 1.4977 -0.7404 P 0 0 0 0 0 3.1278 0.8123 -1.3372 H 0 0 0 0 0 3.2603 1.0538 0.4212 H 0 0 0 0 0 1.0364 1.0674 -0.2344 H 0 0 0 0 0 -3.3649 1.8862 -0.6080 H 0 0 0 0 0 -2.8579 0.5725 -1.6973 H 0 0 0 0 0 -3.1976 -1.0606 0.2012 H 0 0 0 0 0 -8.0359 0.4455 1.1145 H 0 0 0 0 0 -8.8764 -0.3299 -1.0593 H 0 0 0 0 0 -7.3060 -1.0512 -2.8117 H 0 0 0 0 0 -4.8779 -0.9952 -2.3843 H 0 0 0 0 0 1.0843 -5.3118 -0.4835 H 0 0 0 0 0 2.0193 -5.4282 1.0271 H 0 0 0 0 0 0.3650 -4.7711 1.0521 H 0 0 0 0 0 4.7451 -1.9954 -0.1728 H 0 0 0 0 0 -5.6757 0.8784 2.5482 H 0 0 0 0 0 8.0788 1.6574 -1.0655 H 0 0 0 0 0 -1.0369 4.1318 0.3457 H 0 0 0 0 0 -0.8258 -2.7421 -0.5588 H 0 0 0 0 0 6.1037 2.0900 1.3586 H 0 0 0 0 0 -1.0694 -0.9707 -0.1887 H 0 0 0 0 0 24 31 2 0 0 0 31 30 1 0 0 0 31 23 1 0 0 0 31 25 1 0 0 0 25 1 1 0 0 0 1 2 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 2 19 2 0 0 0 2 3 1 0 0 0 4 3 1 0 0 0 4 20 2 0 0 0 27 15 2 0 0 0 19 22 1 0 0 0 5 20 1 0 0 0 5 15 1 0 0 0 3 16 2 0 0 0 7 8 1 0 0 0 7 10 1 0 0 0 15 28 1 0 0 0 22 17 2 0 0 0 14 8 2 0 0 0 14 13 1 0 0 0 16 17 1 0 0 0 16 29 1 0 0 0 26 10 2 0 0 0 17 18 1 0 0 0 8 9 1 0 0 0 10 21 1 0 0 0 13 12 2 0 0 0 9 21 1 0 0 0 9 11 2 0 0 0 12 11 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 4 34 1 0 0 0 6 35 1 0 0 0 6 36 1 0 0 0 7 37 1 0 0 0 11 38 1 0 0 0 12 39 1 0 0 0 13 40 1 0 0 0 14 41 1 0 0 0 18 42 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 19 45 1 0 0 0 21 46 1 0 0 0 23 47 1 0 0 0 28 48 1 0 0 0 29 49 1 0 0 0 30 50 1 0 0 0 20 51 1 0 0 0 M END $$$$