JT1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 70 75 0 0 0 0 0 0 0 0999 V2000 1.0131 -0.4036 2.1183 N 0 0 0 0 0 -1.2811 1.1620 1.8967 N 0 0 0 0 0 -2.3058 2.3347 1.3326 S 0 0 0 0 0 -1.3819 3.3430 0.2221 C 0 0 0 0 0 -3.2862 1.6686 0.5496 O 0 0 0 0 0 -2.6276 3.1550 2.4473 O 0 0 0 0 0 -1.3352 3.0274 -1.1225 C 0 0 0 0 0 -0.6101 3.8193 -1.9940 C 0 0 0 0 0 0.0675 4.9265 -1.5208 C 0 0 0 0 0 0.0205 5.2432 -0.1753 C 0 0 0 0 0 -0.7084 4.4543 0.6946 C 0 0 0 0 0 -1.2908 -0.1912 1.3180 C 0 0 0 0 0 0.1464 -0.5717 0.9452 C 0 0 0 0 0 1.0623 1.0001 2.5496 C 0 0 0 0 0 -0.3367 1.4444 2.9885 C 0 0 0 0 0 -2.1554 -0.2073 0.0843 C 0 0 0 0 0 -1.8244 0.4241 -0.8971 O 0 0 0 0 0 -3.2968 -0.9234 0.0708 N 0 0 0 0 0 -4.1379 -0.9404 -1.1295 C 0 0 0 0 0 -5.3440 -1.8088 -0.8856 C 0 0 0 0 0 -6.4992 -1.2547 -0.3648 C 0 0 0 0 0 -7.6079 -2.0474 -0.1392 C 0 0 0 0 0 -7.5629 -3.4012 -0.4374 C 0 0 0 0 0 -6.4023 -3.9565 -0.9608 C 0 0 0 0 0 -5.2973 -3.1567 -1.1886 C 0 0 0 0 0 2.2784 -0.8875 1.8699 C 0 0 0 0 0 3.6063 -0.8700 3.0234 S 0 0 0 0 0 2.6585 -1.4250 0.7566 N 0 0 0 0 0 3.9201 -1.8491 0.6642 C 0 0 0 0 0 4.6572 -1.6361 1.8386 C 0 0 0 0 0 5.9880 -2.0305 1.8862 C 0 0 0 0 0 6.5282 -2.5956 0.8179 N 0 0 0 0 0 5.8165 -2.7833 -0.2782 C 0 0 0 0 0 4.5555 -2.4357 -0.3708 N 0 0 0 0 0 -8.6524 -4.1837 -0.2154 O 0 0 0 0 0 -9.8108 -3.5454 0.3242 C 0 0 0 0 0 0.8577 5.7898 -2.4699 C 0 0 0 0 0 6.4782 -3.4295 -1.4682 C 0 0 0 0 0 7.9915 -3.6472 -1.4036 C 0 0 0 0 0 7.0404 -4.8404 -1.2837 C 0 0 0 0 0 -9.4959 -2.9806 1.5652 F 0 0 0 0 0 -10.2409 -2.5407 -0.5490 F 0 0 0 0 0 -10.8306 -4.4892 0.4877 F 0 0 0 0 0 0.0344 6.8012 -2.9767 F 0 0 0 0 0 1.9371 6.3641 -1.7907 F 0 0 0 0 0 1.3351 5.0045 -3.5256 F 0 0 0 0 0 -6.3542 -5.2752 -1.2518 F 0 0 0 0 0 -1.8644 2.1617 -1.4926 H 0 0 0 0 0 -0.5739 3.5711 -3.0445 H 0 0 0 0 0 0.5496 6.1089 0.1948 H 0 0 0 0 0 -0.7492 4.7045 1.7446 H 0 0 0 0 0 -1.6791 -0.8997 2.0505 H 0 0 0 0 0 0.4955 0.0738 0.1395 H 0 0 0 0 0 0.1737 -1.6102 0.6172 H 0 0 0 0 0 1.7542 1.1000 3.3857 H 0 0 0 0 0 1.3995 1.6227 1.7215 H 0 0 0 0 0 -0.3314 2.5139 3.1999 H 0 0 0 0 0 -0.6334 0.8931 3.8806 H 0 0 0 0 0 -3.5625 -1.4283 0.8552 H 0 0 0 0 0 -4.4610 0.0754 -1.3596 H 0 0 0 0 0 -3.5661 -1.3387 -1.9681 H 0 0 0 0 0 -6.5348 -0.1998 -0.1327 H 0 0 0 0 0 -8.5093 -1.6142 0.2681 H 0 0 0 0 0 -4.3937 -3.5861 -1.5954 H 0 0 0 0 0 6.5729 -1.8788 2.7811 H 0 0 0 0 0 6.0464 -3.1828 -2.4386 H 0 0 0 0 0 8.5550 -3.5443 -2.3313 H 0 0 0 0 0 8.5085 -3.3230 -0.5004 H 0 0 0 0 0 6.9324 -5.3008 -0.3020 H 0 0 0 0 0 6.9789 -5.5219 -2.1320 H 0 0 0 0 0 41 36 1 0 0 0 47 24 1 0 0 0 35 36 1 0 0 0 35 23 1 0 0 0 36 42 1 0 0 0 36 43 1 0 0 0 24 23 2 0 0 0 24 25 1 0 0 0 23 22 1 0 0 0 25 20 2 0 0 0 22 21 2 0 0 0 20 21 1 0 0 0 20 19 1 0 0 0 19 18 1 0 0 0 5 3 2 0 0 0 18 16 1 0 0 0 6 3 2 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 16 17 2 0 0 0 16 12 1 0 0 0 2 12 1 0 0 0 2 15 1 0 0 0 11 4 2 0 0 0 11 10 1 0 0 0 12 13 1 0 0 0 4 7 1 0 0 0 15 14 1 0 0 0 10 9 2 0 0 0 7 8 2 0 0 0 13 1 1 0 0 0 9 8 1 0 0 0 9 37 1 0 0 0 45 37 1 0 0 0 14 1 1 0 0 0 1 26 1 0 0 0 37 44 1 0 0 0 37 46 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 30 1 0 0 0 28 29 1 0 0 0 30 29 2 0 0 0 30 31 1 0 0 0 29 34 1 0 0 0 34 33 2 0 0 0 31 32 2 0 0 0 33 32 1 0 0 0 33 38 1 0 0 0 38 40 1 0 0 0 38 39 1 0 0 0 40 39 1 0 0 0 7 48 1 0 0 0 8 49 1 0 0 0 10 50 1 0 0 0 11 51 1 0 0 0 12 52 1 0 0 0 13 53 1 0 0 0 13 54 1 0 0 0 14 55 1 0 0 0 14 56 1 0 0 0 15 57 1 0 0 0 15 58 1 0 0 0 18 59 1 0 0 0 19 60 1 0 0 0 19 61 1 0 0 0 21 62 1 0 0 0 22 63 1 0 0 0 25 64 1 0 0 0 31 65 1 0 0 0 38 66 1 0 0 0 39 67 1 0 0 0 39 68 1 0 0 0 40 69 1 0 0 0 40 70 1 0 0 0 M END $$$$