96S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 48 51 0 0 0 0 0 0 0 0999 V2000 -1.4777 -0.5899 -2.8612 CL 0 0 0 0 0 0.0626 3.2085 1.8738 O 0 0 0 0 0 -0.3973 2.7454 0.8459 C 0 0 0 0 0 -1.6885 2.4249 0.6312 N 0 0 0 0 0 -2.7841 2.5735 1.5921 C 0 0 0 0 0 -3.4138 3.9588 1.4376 C 0 0 0 0 0 0.2953 2.4679 -0.2765 N 0 0 0 0 0 1.7327 2.6718 -0.4733 C 0 0 0 0 0 2.4775 1.4287 -0.0611 C 0 0 0 0 0 2.8596 0.4349 -0.9050 N 0 0 0 0 0 3.5114 -0.5177 -0.1471 C 0 0 0 0 0 4.1176 -1.7356 -0.4290 C 0 0 0 0 0 4.6878 -2.4392 0.6164 C 0 0 0 0 0 4.6379 -1.9146 1.9007 C 0 0 0 0 0 5.3536 -2.8023 3.2091 CL 0 0 0 0 0 4.0590 -0.7591 2.1467 N 0 0 0 0 0 3.4958 -0.0423 1.1756 C 0 0 0 0 0 2.8521 1.1521 1.1548 N 0 0 0 0 0 -0.5908 1.9567 -1.2123 C 0 0 0 0 0 -1.7991 1.9305 -0.6605 C 0 0 0 0 0 -3.0662 1.4518 -1.3207 C 0 0 0 0 0 -3.3081 0.0084 -0.9575 C 0 0 0 0 0 -2.6190 -0.9942 -1.6171 C 0 0 0 0 0 -2.8396 -2.3177 -1.2849 C 0 0 0 0 0 -3.7512 -2.6403 -0.2904 C 0 0 0 0 0 -3.9698 -3.9410 0.0372 O 0 0 0 0 0 -4.9224 -4.1975 1.0703 C 0 0 0 0 0 -4.4404 -1.6317 0.3689 C 0 0 0 0 0 -4.2130 -0.3100 0.0374 C 0 0 0 0 0 -3.5378 1.8089 1.4053 H 0 0 0 0 0 -2.3961 2.4618 2.6052 H 0 0 0 0 0 -2.6600 4.7244 1.6244 H 0 0 0 0 0 -3.8010 4.0714 0.4257 H 0 0 0 0 0 -4.2289 4.0698 2.1532 H 0 0 0 0 0 1.9288 2.8809 -1.5257 H 0 0 0 0 0 2.0666 3.5139 0.1333 H 0 0 0 0 0 2.7044 0.4002 -1.8622 H 0 0 0 0 0 4.1426 -2.1222 -1.4370 H 0 0 0 0 0 5.1677 -3.3899 0.4351 H 0 0 0 0 0 -0.3439 1.6391 -2.2147 H 0 0 0 0 0 -3.9053 2.0577 -0.9789 H 0 0 0 0 0 -2.9688 1.5419 -2.4022 H 0 0 0 0 0 -2.3029 -3.1006 -1.7997 H 0 0 0 0 0 -4.5995 -3.7135 1.9918 H 0 0 0 0 0 -5.8945 -3.8032 0.7751 H 0 0 0 0 0 -5.0010 -5.2729 1.2335 H 0 0 0 0 0 -5.1503 -1.8808 1.1435 H 0 0 0 0 0 -4.7458 0.4745 0.5541 H 0 0 0 0 0 6 5 1 0 0 0 21 22 1 0 0 0 21 20 1 0 0 0 1 23 1 0 0 0 23 22 2 0 0 0 23 24 1 0 0 0 22 29 1 0 0 0 24 25 2 0 0 0 29 28 2 0 0 0 5 4 1 0 0 0 25 28 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 20 4 1 0 0 0 20 19 2 0 0 0 4 3 1 0 0 0 19 7 1 0 0 0 3 2 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 18 2 0 0 0 10 11 1 0 0 0 18 17 1 0 0 0 11 17 2 0 0 0 11 12 1 0 0 0 17 16 1 0 0 0 12 13 2 0 0 0 16 14 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 5 30 1 0 0 0 5 31 1 0 0 0 6 32 1 0 0 0 6 33 1 0 0 0 6 34 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 10 37 1 0 0 0 12 38 1 0 0 0 13 39 1 0 0 0 19 40 1 0 0 0 21 41 1 0 0 0 21 42 1 0 0 0 24 43 1 0 0 0 27 44 1 0 0 0 27 45 1 0 0 0 27 46 1 0 0 0 28 47 1 0 0 0 29 48 1 0 0 0 M END $$$$