J3Y Converted by convert_cif2sdf.py 2026/01/30 11:05:38 57 61 0 0 0 0 0 0 0 0999 V2000 -1.5583 0.3018 -0.5108 C 0 0 0 0 0 -1.1597 1.6278 -0.6816 C 0 0 0 0 0 0.1755 1.9216 -0.7830 C 0 0 0 0 0 1.0905 0.8709 -0.7095 C 0 0 0 0 0 2.8744 -0.5369 -0.6413 C 0 0 0 0 0 2.8014 -3.5186 -0.2994 C 0 0 0 0 0 3.1853 -6.0246 -0.0347 C 0 0 0 0 0 3.5017 1.8983 -0.9501 C 0 0 0 0 0 5.6850 2.9415 -0.5365 C 0 0 0 0 0 4.9907 0.8522 0.6975 C 0 0 0 0 0 -4.2355 1.3741 -1.9394 C 0 0 0 0 0 1.6930 -2.6582 -0.3405 C 0 0 0 0 0 2.3425 -4.7790 -0.1327 C 0 0 0 0 0 0.6301 -0.4437 -0.5371 C 0 0 0 0 0 -3.9048 1.0820 -0.4752 C 0 0 0 0 0 6.1207 3.5205 0.8149 C 0 0 0 0 0 5.4609 1.5331 1.9876 C 0 0 0 0 0 -5.1571 0.6587 0.2485 C 0 0 0 0 0 -6.0077 1.6201 0.7606 C 0 0 0 0 0 -7.1575 1.2206 1.4235 C 0 0 0 0 0 -7.4112 -0.1393 1.5468 C 0 0 0 0 0 -6.5124 -1.0435 1.0074 C 0 0 0 0 0 2.5610 0.7835 -0.7747 C 0 0 0 0 0 -8.5191 -0.5741 2.1860 F 0 0 0 0 0 1.7360 -1.2652 -0.5006 N 0 0 0 0 0 0.9952 -4.7244 -0.0707 N 0 0 0 0 0 0.6084 -3.3843 -0.2028 N 0 0 0 0 0 -0.6741 -0.6784 -0.4449 N 0 0 0 0 0 4.6778 1.8971 -0.2907 N 0 0 0 0 0 -5.4311 -0.6244 0.3786 N 0 0 0 0 0 -2.9122 0.0070 -0.4033 N 0 0 0 0 0 3.2201 2.8209 -1.6906 O 0 0 0 0 0 6.5123 2.4526 1.6802 O 0 0 0 0 0 -1.8962 2.4153 -0.7343 H 0 0 0 0 0 0.5094 2.9397 -0.9157 H 0 0 0 0 0 3.8747 -0.9424 -0.6464 H 0 0 0 0 0 3.8373 -3.2258 -0.3899 H 0 0 0 0 0 3.4397 -6.2091 1.0091 H 0 0 0 0 0 2.6260 -6.8736 -0.4277 H 0 0 0 0 0 4.0989 -5.8915 -0.6143 H 0 0 0 0 0 5.2519 3.7305 -1.1513 H 0 0 0 0 0 6.5452 2.5085 -1.0457 H 0 0 0 0 0 5.7821 0.2093 0.3126 H 0 0 0 0 0 4.1005 0.2581 0.8994 H 0 0 0 0 0 -4.9737 2.1735 -1.9929 H 0 0 0 0 0 -3.3291 1.6804 -2.4631 H 0 0 0 0 0 -4.6384 0.4751 -2.4078 H 0 0 0 0 0 -3.5018 1.9800 -0.0067 H 0 0 0 0 0 6.9628 4.1963 0.6665 H 0 0 0 0 0 5.2894 4.0661 1.2623 H 0 0 0 0 0 4.6274 2.0715 2.4401 H 0 0 0 0 0 5.8283 0.7794 2.6847 H 0 0 0 0 0 -5.7790 2.6689 0.6462 H 0 0 0 0 0 -7.8403 1.9498 1.8340 H 0 0 0 0 0 -6.7006 -2.1026 1.0994 H 0 0 0 0 0 0.3988 -5.4804 0.0450 H 0 0 0 0 0 -3.1994 -0.9111 -0.2804 H 0 0 0 0 0 2 3 2 0 0 0 2 1 1 0 0 0 11 15 1 0 0 0 16 33 1 0 0 0 16 9 1 0 0 0 31 1 1 0 0 0 31 15 1 0 0 0 3 4 1 0 0 0 1 28 2 0 0 0 33 17 1 0 0 0 15 18 1 0 0 0 17 10 1 0 0 0 32 8 2 0 0 0 4 23 1 0 0 0 4 14 2 0 0 0 9 29 1 0 0 0 28 14 1 0 0 0 8 29 1 0 0 0 8 23 1 0 0 0 29 10 1 0 0 0 23 5 2 0 0 0 14 25 1 0 0 0 18 30 2 0 0 0 18 19 1 0 0 0 5 25 1 0 0 0 25 12 1 0 0 0 30 22 1 0 0 0 19 20 2 0 0 0 6 12 1 0 0 0 6 13 2 0 0 0 12 27 2 0 0 0 22 21 2 0 0 0 13 7 1 0 0 0 13 26 1 0 0 0 27 26 1 0 0 0 20 21 1 0 0 0 21 24 1 0 0 0 2 34 1 0 0 0 3 35 1 0 0 0 5 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 7 39 1 0 0 0 7 40 1 0 0 0 9 41 1 0 0 0 9 42 1 0 0 0 10 43 1 0 0 0 10 44 1 0 0 0 11 45 1 0 0 0 11 46 1 0 0 0 11 47 1 0 0 0 15 48 1 0 0 0 16 49 1 0 0 0 16 50 1 0 0 0 17 51 1 0 0 0 17 52 1 0 0 0 19 53 1 0 0 0 20 54 1 0 0 0 22 55 1 0 0 0 26 56 1 0 0 0 31 57 1 0 0 0 M END $$$$