90A Converted by convert_cif2sdf.py 2026/01/30 11:05:38 46 45 0 0 0 0 0 0 0 0999 V2000 4.4545 1.0481 1.4943 C 0 0 0 0 0 3.4548 1.8207 0.6300 C 0 0 0 0 0 6.4476 -0.3181 1.1798 C 0 0 0 0 0 1.7636 1.5257 -1.0417 C 0 0 0 0 0 1.0497 0.4557 -1.8710 C 0 0 0 0 0 6.5047 -0.4595 2.3830 O 0 0 0 0 0 7.4811 -0.9660 0.2946 C 0 0 0 0 0 5.4589 0.4190 0.6340 N 0 0 0 0 0 2.7285 0.9040 -0.1912 O 0 0 0 0 0 0.2974 -0.3957 -1.0052 O 0 0 0 0 0 -0.4103 -1.4352 -1.6830 C 0 0 0 0 0 -1.1762 -2.2798 -0.6623 C 0 0 0 0 0 -2.1833 -1.4788 -0.0411 O 0 0 0 0 0 -2.9613 -2.1763 0.9339 C 0 0 0 0 0 -4.0020 -1.2264 1.5301 C 0 0 0 0 0 -4.9294 -0.8383 0.5146 O 0 0 0 0 0 -5.9494 0.0541 0.9697 C 0 0 0 0 0 -6.8796 0.4003 -0.1942 C 0 0 0 0 0 -7.9557 1.3405 0.2847 C 0 0 0 0 0 -7.9754 1.6979 1.4393 O 0 0 0 0 0 4.9453 1.7356 2.1836 H 0 0 0 0 0 3.9284 0.2797 2.0603 H 0 0 0 0 0 2.7600 2.3613 1.2731 H 0 0 0 0 0 3.9915 2.5283 -0.0012 H 0 0 0 0 0 2.2650 2.2275 -1.7086 H 0 0 0 0 0 1.0335 2.0604 -0.4333 H 0 0 0 0 0 0.3780 0.9357 -2.5823 H 0 0 0 0 0 1.7883 -0.1364 -2.4119 H 0 0 0 0 0 7.2671 -0.7276 -0.7478 H 0 0 0 0 0 8.4706 -0.5913 0.5573 H 0 0 0 0 0 7.4527 -2.0461 0.4340 H 0 0 0 0 0 5.4141 0.5327 -0.3283 H 0 0 0 0 0 -1.1133 -0.9937 -2.3905 H 0 0 0 0 0 0.2969 -2.0669 -2.2193 H 0 0 0 0 0 -1.6446 -3.1238 -1.1679 H 0 0 0 0 0 -0.4860 -2.6470 0.0955 H 0 0 0 0 0 -3.4664 -3.0182 0.4617 H 0 0 0 0 0 -2.3079 -2.5414 1.7261 H 0 0 0 0 0 -4.5354 -1.7316 2.3359 H 0 0 0 0 0 -3.5025 -0.3414 1.9246 H 0 0 0 0 0 -6.5228 -0.4247 1.7637 H 0 0 0 0 0 -5.4909 0.9657 1.3514 H 0 0 0 0 0 -6.3062 0.8791 -0.9881 H 0 0 0 0 0 -7.3381 -0.5112 -0.5768 H 0 0 0 0 0 -8.8903 1.7830 -0.5706 O 0 0 0 0 0 -9.5600 2.3845 -0.2167 H 0 0 0 0 0 20 19 2 0 0 0 19 18 1 0 0 0 18 17 1 0 0 0 6 3 2 0 0 0 17 16 1 0 0 0 1 8 1 0 0 0 1 2 1 0 0 0 3 8 1 0 0 0 3 7 1 0 0 0 16 15 1 0 0 0 2 9 1 0 0 0 15 14 1 0 0 0 9 4 1 0 0 0 4 5 1 0 0 0 14 13 1 0 0 0 13 12 1 0 0 0 5 10 1 0 0 0 12 11 1 0 0 0 10 11 1 0 0 0 1 21 1 0 0 0 1 22 1 0 0 0 2 23 1 0 0 0 2 24 1 0 0 0 4 25 1 0 0 0 4 26 1 0 0 0 5 27 1 0 0 0 5 28 1 0 0 0 7 29 1 0 0 0 7 30 1 0 0 0 7 31 1 0 0 0 8 32 1 0 0 0 11 33 1 0 0 0 11 34 1 0 0 0 12 35 1 0 0 0 12 36 1 0 0 0 14 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 15 40 1 0 0 0 17 41 1 0 0 0 17 42 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 19 45 1 0 0 0 45 46 1 0 0 0 M END $$$$