F3K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 73 86 0 0 0 0 0 0 0 0999 V2000 3.9158 2.3879 1.0698 C 0 0 0 0 0 -1.7066 3.1295 1.8074 C 0 0 0 0 0 -2.9595 2.7433 1.3729 C 0 0 0 0 0 2.4436 0.5476 2.3714 C 0 0 0 0 0 3.4974 1.2149 2.9906 C 0 0 0 0 0 2.8372 1.7101 0.4567 C 0 0 0 0 0 4.3318 3.6170 -0.9662 C 0 0 0 0 0 -1.9170 -1.7362 -3.0573 C 0 0 0 0 0 -3.1318 -1.2376 -2.6274 C 0 0 0 0 0 -0.7579 -1.3813 -2.3847 C 0 0 0 0 0 -1.9094 0.0185 -0.9674 C 0 0 0 0 0 3.2532 2.9710 -1.6182 C 0 0 0 0 0 1.9128 2.6088 -3.4385 C 0 0 0 0 0 2.4974 2.0078 -0.9090 C 0 0 0 0 0 -0.7998 -1.1665 2.2594 C 0 0 0 0 0 -9.0457 -0.1437 -0.3815 C 0 0 0 0 0 -8.9921 0.8841 0.5630 C 0 0 0 0 0 -7.8226 1.5050 0.8733 C 0 0 0 0 0 -7.9284 -0.5558 -1.0432 C 0 0 0 0 0 -6.6822 0.0238 -0.7458 C 0 0 0 0 0 -6.6287 1.0877 0.2580 C 0 0 0 0 0 -4.3980 0.1367 -0.9574 C 0 0 0 0 0 -4.3446 1.1546 0.0315 C 0 0 0 0 0 -3.1370 -0.3617 -1.5434 C 0 0 0 0 0 -1.8576 1.0491 0.0452 C 0 0 0 0 0 -3.0451 1.6675 0.4889 C 0 0 0 0 0 -0.5916 2.4058 1.4066 C 0 0 0 0 0 4.6477 3.3392 0.3196 C 0 0 0 0 0 1.1803 1.6601 -2.7269 C 0 0 0 0 0 -1.0547 -2.2679 3.0773 C 0 0 0 0 0 0.4626 -3.5211 1.9005 C 0 0 0 0 0 0.7132 -2.3938 1.0805 C 0 0 0 0 0 1.1645 -4.7223 1.6503 C 0 0 0 0 0 2.0739 -4.8123 0.6516 C 0 0 0 0 0 2.3614 -3.7094 -0.1842 C 0 0 0 0 0 1.6742 -2.4883 0.0221 C 0 0 0 0 0 3.4884 -2.7176 -1.9206 C 0 0 0 0 0 2.7976 -1.5246 -1.7113 C 0 0 0 0 0 -5.5573 -0.3749 -1.3382 N 0 0 0 0 0 -5.4523 1.6217 0.5816 N 0 0 0 0 0 -0.7889 -0.5437 -1.3600 N 0 3 0 0 0 -0.6978 1.3876 0.5665 N 0 3 0 0 0 2.1390 0.8155 1.1174 N 0 3 0 0 0 4.2101 2.1124 2.3414 N 0 0 0 0 0 2.9268 3.2418 -2.8816 N 0 0 0 0 0 1.4898 1.3769 -1.4759 N 0 3 0 0 0 0.0772 -1.2623 1.2760 N 0 3 0 0 0 -0.4293 -3.4115 2.8867 N 0 0 0 0 0 1.9026 -1.4403 -0.7415 N 0 3 0 0 0 3.2609 -3.7750 -1.1680 N 0 0 0 0 0 -10.7028 -0.9833 -0.7473 BR 0 0 0 0 0 0.7013 0.0781 -0.1267 RU 0 0 0 0 0 -1.5925 3.9812 2.4592 H 0 0 0 0 0 -3.8438 3.2636 1.6993 H 0 0 0 0 0 1.8726 -0.1865 2.9218 H 0 0 0 0 0 3.7383 0.9897 4.0214 H 0 0 0 0 0 4.9164 4.3508 -1.5069 H 0 0 0 0 0 -1.8687 -2.4015 -3.9054 H 0 0 0 0 0 -4.0483 -1.5158 -3.1185 H 0 0 0 0 0 0.1897 -1.7961 -2.7041 H 0 0 0 0 0 1.6459 2.8284 -4.4637 H 0 0 0 0 0 -1.3223 -0.2371 2.4296 H 0 0 0 0 0 -9.9029 1.1838 1.0664 H 0 0 0 0 0 -7.8099 2.3086 1.5946 H 0 0 0 0 0 -7.9996 -1.3364 -1.7858 H 0 0 0 0 0 0.3855 2.6908 1.7747 H 0 0 0 0 0 5.4778 3.8561 0.7837 H 0 0 0 0 0 0.3521 1.1529 -3.2031 H 0 0 0 0 0 -1.7758 -2.1809 3.8783 H 0 0 0 0 0 0.9696 -5.5902 2.2680 H 0 0 0 0 0 2.5913 -5.7499 0.4911 H 0 0 0 0 0 4.2209 -2.7772 -2.7151 H 0 0 0 0 0 2.9946 -0.6691 -2.3407 H 0 0 0 0 0 33 34 2 0 0 0 33 31 1 0 0 0 34 35 1 0 0 0 48 31 2 0 0 0 48 30 1 0 0 0 31 32 1 0 0 0 35 50 2 0 0 0 35 36 1 0 0 0 50 37 1 0 0 0 30 15 2 0 0 0 32 36 1 0 0 0 32 47 2 0 0 0 36 49 2 0 0 0 37 38 2 0 0 0 15 47 1 0 0 0 47 52 1 0 0 0 49 38 1 0 0 0 49 52 1 0 0 0 4 5 2 0 0 0 4 43 1 0 0 0 5 44 1 0 0 0 10 8 2 0 0 0 10 41 1 0 0 0 43 52 1 0 0 0 43 6 2 0 0 0 52 41 1 0 0 0 52 42 1 0 0 0 52 46 1 0 0 0 8 9 1 0 0 0 44 1 2 0 0 0 41 11 2 0 0 0 6 1 1 0 0 0 6 14 1 0 0 0 9 24 2 0 0 0 1 28 1 0 0 0 11 24 1 0 0 0 11 25 1 0 0 0 42 27 2 0 0 0 42 25 1 0 0 0 27 2 1 0 0 0 24 22 1 0 0 0 46 14 2 0 0 0 46 29 1 0 0 0 25 26 2 0 0 0 14 12 1 0 0 0 28 7 2 0 0 0 2 3 2 0 0 0 22 39 2 0 0 0 22 23 1 0 0 0 29 13 2 0 0 0 26 3 1 0 0 0 26 23 1 0 0 0 39 20 1 0 0 0 12 7 1 0 0 0 12 45 2 0 0 0 23 40 2 0 0 0 13 45 1 0 0 0 20 19 2 0 0 0 20 21 1 0 0 0 40 21 1 0 0 0 19 16 1 0 0 0 21 18 2 0 0 0 16 17 2 0 0 0 16 51 1 0 0 0 18 17 1 0 0 0 2 53 1 0 0 0 3 54 1 0 0 0 4 55 1 0 0 0 5 56 1 0 0 0 7 57 1 0 0 0 8 58 1 0 0 0 9 59 1 0 0 0 10 60 1 0 0 0 13 61 1 0 0 0 15 62 1 0 0 0 17 63 1 0 0 0 18 64 1 0 0 0 19 65 1 0 0 0 27 66 1 0 0 0 28 67 1 0 0 0 29 68 1 0 0 0 30 69 1 0 0 0 33 70 1 0 0 0 34 71 1 0 0 0 37 72 1 0 0 0 38 73 1 0 0 0 M END $$$$