JHG Converted by convert_cif2sdf.py 2024/03/01 05:07:52 70 73 0 0 0 0 0 0 0 0999 V2000 -0.8316 -1.6146 -0.0979 C 0 0 0 0 0 -0.0957 -1.0708 -1.3399 C 0 0 0 0 0 -2.2519 -1.8354 -0.4029 N 0 0 0 0 0 -3.0679 -1.7713 0.8167 C 0 0 0 0 0 -4.5157 -2.0020 0.4649 C 0 0 0 0 0 -5.0306 -3.2848 0.4663 C 0 0 0 0 0 -6.3573 -3.4978 0.1435 C 0 0 0 0 0 -7.1703 -2.4272 -0.1787 C 0 0 0 0 0 -8.6170 -2.6588 -0.5314 C 0 0 0 0 0 -9.3950 -2.5978 0.6299 F 0 0 0 0 0 -9.0417 -1.6735 -1.4297 F 0 0 0 0 0 -8.7581 -3.9189 -1.1212 F 0 0 0 0 0 -6.6554 -1.1444 -0.1790 C 0 0 0 0 0 -5.3296 -0.9315 0.1478 C 0 0 0 0 0 -0.1372 -2.9541 0.2247 C 0 0 0 0 0 1.2162 -2.8286 -0.3736 N 0 0 0 0 0 0.9810 -2.1284 -1.6629 C 0 0 0 0 0 0.5307 0.2179 -1.0362 N 0 0 0 0 0 1.4333 0.3418 0.1112 C 0 0 0 0 0 2.8541 -0.0362 -0.3148 C 0 0 0 0 0 3.7772 -0.0066 0.9047 C 0 0 0 0 0 5.1763 -0.3789 0.4848 C 0 0 0 0 0 6.0602 0.6035 0.0809 C 0 0 0 0 0 7.3437 0.2624 -0.3040 C 0 0 0 0 0 7.7423 -1.0612 -0.2840 C 0 0 0 0 0 6.8582 -2.0426 0.1209 C 0 0 0 0 0 5.5768 -1.7013 0.5098 C 0 0 0 0 0 0.2195 1.5358 -1.9889 S 0 0 0 0 0 1.3833 2.3489 -1.9438 O 0 0 0 0 0 -0.3323 1.0345 -3.1996 O 0 0 0 0 0 -1.0612 2.4568 -1.2040 C 0 0 0 0 0 -0.7384 3.4477 -0.2932 C 0 0 0 0 0 -1.7364 4.1719 0.3247 C 0 0 0 0 0 -3.0741 3.9035 0.0311 C 0 0 0 0 0 -4.1482 4.6760 0.6896 C 0 0 0 0 0 -5.4394 4.4145 0.4046 N 0 0 0 0 0 -3.8681 5.5477 1.4899 O 0 0 0 0 0 -3.3930 2.9029 -0.8876 C 0 0 0 0 0 -2.3850 2.1888 -1.5037 C 0 0 0 0 0 -0.7285 -0.9214 0.7371 H 0 0 0 0 0 -0.7881 -0.9682 -2.1754 H 0 0 0 0 0 -2.5801 -1.1777 -1.0934 H 0 0 0 0 0 -2.7372 -2.5384 1.5163 H 0 0 0 0 0 -2.9582 -0.7881 1.2751 H 0 0 0 0 0 -4.3956 -4.1219 0.7185 H 0 0 0 0 0 -6.7598 -4.5004 0.1435 H 0 0 0 0 0 -7.2904 -0.3073 -0.4313 H 0 0 0 0 0 -4.9281 0.0710 0.1508 H 0 0 0 0 0 -0.0642 -3.0944 1.3033 H 0 0 0 0 0 -0.6793 -3.7837 -0.2315 H 0 0 0 0 0 1.8275 -2.2923 0.2235 H 0 0 0 0 0 0.6147 -2.8271 -2.4138 H 0 0 0 0 0 1.8968 -1.6454 -2.0053 H 0 0 0 0 0 1.4239 1.3698 0.4726 H 0 0 0 0 0 1.1039 -0.3266 0.9071 H 0 0 0 0 0 2.8501 -1.0385 -0.7440 H 0 0 0 0 0 3.2115 0.6754 -1.0589 H 0 0 0 0 0 3.7811 0.9956 1.3330 H 0 0 0 0 0 3.4197 -0.7182 1.6488 H 0 0 0 0 0 5.7493 1.6377 0.0647 H 0 0 0 0 0 8.0346 1.0305 -0.6210 H 0 0 0 0 0 8.7440 -1.3273 -0.5858 H 0 0 0 0 0 7.1692 -3.0778 0.1361 H 0 0 0 0 0 4.8867 -2.4683 0.8298 H 0 0 0 0 0 0.2966 3.6541 -0.0671 H 0 0 0 0 0 -1.4828 4.9452 1.0354 H 0 0 0 0 0 -5.6633 3.7188 -0.2334 H 0 0 0 0 0 -6.1446 4.9210 0.8366 H 0 0 0 0 0 -4.4264 2.6896 -1.1198 H 0 0 0 0 0 -2.6308 1.4173 -2.2184 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 15 1 0 0 0 2 17 1 0 0 0 2 18 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 14 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 8 13 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 13 14 2 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 18 19 1 0 0 0 18 28 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 27 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 28 29 2 0 0 0 28 30 2 0 0 0 28 31 1 0 0 0 31 32 2 0 0 0 31 39 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 34 38 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 38 39 2 0 0 0 1 40 1 0 0 0 2 41 1 0 0 0 3 42 1 0 0 0 4 43 1 0 0 0 4 44 1 0 0 0 6 45 1 0 0 0 7 46 1 0 0 0 13 47 1 0 0 0 14 48 1 0 0 0 15 49 1 0 0 0 15 50 1 0 0 0 16 51 1 0 0 0 17 52 1 0 0 0 17 53 1 0 0 0 19 54 1 0 0 0 19 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 21 59 1 0 0 0 23 60 1 0 0 0 24 61 1 0 0 0 25 62 1 0 0 0 26 63 1 0 0 0 27 64 1 0 0 0 32 65 1 0 0 0 33 66 1 0 0 0 36 67 1 0 0 0 36 68 1 0 0 0 38 69 1 0 0 0 39 70 1 0 0 0 M END $$$$