CQV Converted by convert_cif2sdf.py 2024/03/29 11:09:15 26 26 0 0 0 0 0 0 0 0999 V2000 3.3356 0.0861 -0.4958 C 0 0 0 0 0 -0.0115 1.0533 0.6075 C 0 0 0 0 0 1.9120 -0.0066 -0.0988 C 0 0 0 0 0 -0.7106 -0.1423 0.6251 C 0 0 0 0 0 -0.0625 -1.3134 0.2628 C 0 0 0 0 0 1.2725 -1.2439 -0.1051 C 0 0 0 0 0 -2.1605 -0.1709 1.0333 C 0 0 0 0 0 -3.0415 0.0286 -0.2024 C 0 0 0 0 0 -4.5142 0.0002 0.2128 C 0 0 0 0 0 3.9421 -0.9149 -0.8198 O 0 0 0 0 0 3.9571 1.2811 -0.5022 O 0 0 0 0 0 1.2532 1.0923 0.2492 N 0 0 0 0 0 -5.3950 0.1987 -1.0220 C 0 0 0 0 0 -0.5126 1.9683 0.8890 H 0 0 0 0 0 -0.5850 -2.2586 0.2686 H 0 0 0 0 0 1.8081 -2.1360 -0.3934 H 0 0 0 0 0 -2.3906 -1.1324 1.4922 H 0 0 0 0 0 -2.3518 0.6293 1.7484 H 0 0 0 0 0 -2.8124 0.9901 -0.6612 H 0 0 0 0 0 -2.8502 -0.7705 -0.9174 H 0 0 0 0 0 -4.7443 -0.9613 0.6717 H 0 0 0 0 0 -4.7064 0.7994 0.9278 H 0 0 0 0 0 4.8867 1.2906 -0.7681 H 0 0 0 0 0 -6.4445 0.1788 -0.7276 H 0 0 0 0 0 -5.1660 1.1603 -1.4818 H 0 0 0 0 0 -5.2038 -0.6004 -1.7380 H 0 0 0 0 0 10 1 2 0 0 0 6 5 2 0 0 0 6 3 1 0 0 0 5 4 1 0 0 0 1 3 1 0 0 0 1 11 1 0 0 0 3 12 2 0 0 0 8 9 1 0 0 0 8 7 1 0 0 0 9 13 1 0 0 0 4 7 1 0 0 0 4 2 2 0 0 0 12 2 1 0 0 0 2 14 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 17 1 0 0 0 7 18 1 0 0 0 8 19 1 0 0 0 8 20 1 0 0 0 9 21 1 0 0 0 9 22 1 0 0 0 11 23 1 0 0 0 13 24 1 0 0 0 13 25 1 0 0 0 13 26 1 0 0 0 M END $$$$