JJ1 Converted by convert_cif2sdf.py 2026/01/30 11:05:38 88 88 0 0 0 0 0 0 0 0999 V2000 0.6335 -0.4373 1.1264 O 0 0 0 0 0 0.7805 0.1847 0.0951 C 0 0 0 0 0 1.9927 0.2386 -0.4914 N 0 0 0 0 0 3.1320 -0.4537 0.1162 C 0 0 0 0 0 3.1412 -1.9154 -0.3357 C 0 0 0 0 0 1.8996 -2.6248 0.2088 C 0 0 0 0 0 1.9088 -4.0865 -0.2432 C 0 0 0 0 0 0.6672 -4.7959 0.3003 C 0 0 0 0 0 0.6755 -6.1994 -0.1333 N 0 0 0 0 0 4.4131 0.2140 -0.3146 C 0 0 0 0 0 5.5975 -0.2554 0.1244 N 0 0 0 0 0 6.8424 0.3925 -0.2953 C 0 0 0 0 0 8.0325 -0.3295 0.3398 C 0 0 0 0 0 9.3337 0.3470 -0.0980 C 0 0 0 0 0 10.5270 -0.4483 0.4340 C 0 0 0 0 0 11.8271 0.2283 -0.0029 C 0 0 0 0 0 11.8734 1.6522 0.5547 C 0 0 0 0 0 10.6802 2.4485 0.0227 C 0 0 0 0 0 9.3800 1.7709 0.4606 C 0 0 0 0 0 4.3779 1.1730 -1.0566 O 0 0 0 0 0 -0.3926 0.8908 -0.5327 C 0 0 0 0 0 -0.0978 2.3901 -0.6223 C 0 0 0 0 0 0.2388 2.8874 0.6749 O 0 0 0 0 0 -1.5880 0.6767 0.2868 N 0 0 0 0 0 -2.8119 0.7537 -0.2735 C 0 0 0 0 0 -2.9231 0.9994 -1.4560 O 0 0 0 0 0 -4.0414 0.5330 0.5700 C 0 0 0 0 0 -5.2900 0.6742 -0.3031 C 0 0 0 0 0 -6.5385 0.4497 0.5533 C 0 0 0 0 0 -7.7871 0.5919 -0.3189 C 0 0 0 0 0 -9.0357 0.3674 0.5366 C 0 0 0 0 0 -10.2843 0.5096 -0.3356 C 0 0 0 0 0 -11.5318 0.2852 0.5199 C 0 0 0 0 0 -12.7814 0.4274 -0.3523 C 0 0 0 0 0 -14.0290 0.2029 0.5032 C 0 0 0 0 0 -15.1958 0.3356 -0.3115 O 0 0 0 0 0 2.1108 0.7361 -1.3162 H 0 0 0 0 0 -0.5630 0.4938 -1.5335 H 0 0 0 0 0 3.0473 -0.4091 1.2025 H 0 0 0 0 0 3.1369 -1.9588 -1.4243 H 0 0 0 0 0 4.0367 -2.4069 0.0445 H 0 0 0 0 0 1.9039 -2.5813 1.2973 H 0 0 0 0 0 1.0041 -2.1323 -0.1715 H 0 0 0 0 0 1.9045 -4.1300 -1.3327 H 0 0 0 0 0 2.8043 -4.5790 0.1361 H 0 0 0 0 0 0.6715 -4.7524 1.3899 H 0 0 0 0 0 -0.2283 -4.3034 -0.0789 H 0 0 0 0 0 -0.1349 -6.6902 0.2129 H 0 0 0 0 0 0.7369 -6.2670 -1.1384 H 0 0 0 0 0 5.6266 -1.0222 0.7170 H 0 0 0 0 0 6.9282 0.3489 -1.3806 H 0 0 0 0 0 6.8367 1.4346 0.0268 H 0 0 0 0 0 7.9478 -0.2859 1.4251 H 0 0 0 0 0 8.0392 -1.3716 0.0177 H 0 0 0 0 0 9.3766 0.3825 -1.1864 H 0 0 0 0 0 10.4840 -0.4837 1.5234 H 0 0 0 0 0 10.4940 -1.4632 0.0364 H 0 0 0 0 0 8.5297 2.3383 0.0816 H 0 0 0 0 0 9.3371 1.7365 1.5489 H 0 0 0 0 0 12.6774 -0.3381 0.3761 H 0 0 0 0 0 11.8700 0.2637 -1.0922 H 0 0 0 0 0 11.8305 1.6177 1.6431 H 0 0 0 0 0 12.7997 2.1352 0.2430 H 0 0 0 0 0 10.7131 3.4624 0.4203 H 0 0 0 0 0 10.7231 2.4829 -1.0657 H 0 0 0 0 0 0.7370 2.5557 -1.3035 H 0 0 0 0 0 -0.9793 2.9126 -0.9938 H 0 0 0 0 0 -1.4988 0.4802 1.2326 H 0 0 0 0 0 0.4389 3.8332 0.6939 H 0 0 0 0 0 -4.0112 -0.4678 1.0015 H 0 0 0 0 0 -4.0705 1.2730 1.3698 H 0 0 0 0 0 -5.3201 1.6750 -0.7347 H 0 0 0 0 0 -5.2599 -0.0658 -1.1030 H 0 0 0 0 0 -6.5084 -0.5501 0.9848 H 0 0 0 0 0 -6.5676 1.1897 1.3532 H 0 0 0 0 0 -7.8173 1.5927 -0.7514 H 0 0 0 0 0 -7.7570 -0.1481 -1.1187 H 0 0 0 0 0 -9.0045 -0.6324 0.9681 H 0 0 0 0 0 -9.0648 1.1085 1.3364 H 0 0 0 0 0 -10.3144 1.5095 -0.7671 H 0 0 0 0 0 -10.2542 -0.2304 -1.1354 H 0 0 0 0 0 -11.5017 -0.7147 0.9514 H 0 0 0 0 0 -11.5619 1.0252 1.3198 H 0 0 0 0 0 -12.8116 1.4272 -0.7838 H 0 0 0 0 0 -12.7514 -0.3127 -1.1521 H 0 0 0 0 0 -13.9988 -0.7969 0.9347 H 0 0 0 0 0 -14.0591 0.9429 1.3030 H 0 0 0 0 0 -16.0258 0.2054 0.1662 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 21 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 10 20 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 19 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 21 22 1 0 0 0 21 24 1 0 0 0 22 23 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 3 37 1 0 0 0 21 38 1 0 0 0 4 39 1 0 0 0 5 40 1 0 0 0 5 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 7 45 1 0 0 0 8 46 1 0 0 0 8 47 1 0 0 0 9 48 1 0 0 0 9 49 1 0 0 0 11 50 1 0 0 0 12 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 15 56 1 0 0 0 15 57 1 0 0 0 19 58 1 0 0 0 19 59 1 0 0 0 16 60 1 0 0 0 16 61 1 0 0 0 17 62 1 0 0 0 17 63 1 0 0 0 18 64 1 0 0 0 18 65 1 0 0 0 22 66 1 0 0 0 22 67 1 0 0 0 24 68 1 0 0 0 23 69 1 0 0 0 27 70 1 0 0 0 27 71 1 0 0 0 28 72 1 0 0 0 28 73 1 0 0 0 29 74 1 0 0 0 29 75 1 0 0 0 30 76 1 0 0 0 30 77 1 0 0 0 31 78 1 0 0 0 31 79 1 0 0 0 32 80 1 0 0 0 32 81 1 0 0 0 33 82 1 0 0 0 33 83 1 0 0 0 34 84 1 0 0 0 34 85 1 0 0 0 35 86 1 0 0 0 35 87 1 0 0 0 36 88 1 0 0 0 M END $$$$