J1S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 79 86 0 0 0 0 0 0 0 0999 V2000 14.0146 5.0881 12.1371 O 0 0 0 0 0 14.4253 5.4978 13.2148 C 0 0 0 0 0 15.2967 4.8904 13.9377 O 0 0 0 0 0 13.7226 6.7901 13.6148 C 0 0 0 0 0 13.1920 6.5458 15.0315 C 0 0 0 0 0 11.7592 6.0699 14.9878 C 0 0 0 0 0 10.6156 6.8346 15.0197 C 0 0 0 0 0 10.5039 8.3326 15.0919 C 0 0 0 0 0 9.5606 5.9324 14.9628 C 0 0 0 0 0 9.9815 4.6252 14.9177 N 0 0 0 0 0 11.3155 4.7656 14.9219 C 0 0 0 0 0 12.1691 3.5662 14.8556 C 0 0 0 0 0 8.1504 6.4103 14.9398 C 0 0 0 0 0 7.0386 5.4857 15.0421 C 0 0 0 0 0 7.3678 4.2149 14.9602 N 0 0 0 0 0 8.8435 3.1087 14.7912 CO 0 3 0 0 0 5.6598 5.7264 15.1518 C 0 0 0 0 0 5.0312 7.0880 15.2253 C 0 0 0 0 0 5.0644 4.4546 15.1809 C 0 0 0 0 0 3.5749 4.1930 15.3478 C 0 0 0 0 0 6.1390 3.4124 15.2198 C 0 0 0 0 0 6.1242 2.9137 16.6588 C 0 0 0 0 0 6.2714 2.1481 14.4351 C 0 0 0 0 0 7.6858 1.6587 14.6490 N 0 0 0 0 0 6.0478 2.5564 12.9430 C 0 0 0 0 0 5.5619 0.8310 14.5661 C 0 0 0 0 0 4.0607 0.6281 14.4820 C 0 0 0 0 0 6.4643 -0.2464 14.5301 C 0 0 0 0 0 6.1845 -1.7226 14.4940 C 0 0 0 0 0 7.7385 0.3496 14.5876 C 0 0 0 0 0 9.0910 -0.2317 14.5498 C 0 0 0 0 0 10.3403 0.5788 14.5621 C 0 0 0 0 0 11.6199 0.0288 14.5122 C 0 0 0 0 0 12.0394 -1.4295 14.3979 C 0 0 0 0 0 10.3360 1.9350 14.6579 N 0 0 0 0 0 11.6598 2.2129 14.7160 C 0 0 0 0 0 12.4711 1.1115 14.6170 C 0 0 0 0 0 13.9674 1.0211 14.6727 C 0 0 0 0 0 14.4032 0.9933 16.1530 C 0 0 0 0 0 15.9105 0.8866 16.3848 C 0 0 0 0 0 16.4721 -0.2310 16.2971 O 0 0 0 0 0 16.5530 1.9003 16.7181 O 0 0 0 0 0 14.4382 4.2637 11.9289 H 0 0 0 0 0 12.8927 7.0063 12.9251 H 0 0 0 0 0 14.4314 7.6313 13.6099 H 0 0 0 0 0 13.2438 7.4841 15.6041 H 0 0 0 0 0 13.8115 5.7812 15.5227 H 0 0 0 0 0 9.4428 8.6217 15.1013 H 0 0 0 0 0 10.9899 8.6928 16.0105 H 0 0 0 0 0 10.9975 8.7800 14.2165 H 0 0 0 0 0 13.2391 3.7013 14.9146 H 0 0 0 0 0 7.9514 7.4679 14.8453 H 0 0 0 0 0 3.9387 6.9844 15.3068 H 0 0 0 0 0 5.4156 7.6225 16.1073 H 0 0 0 0 0 5.2789 7.6557 14.3161 H 0 0 0 0 0 3.0248 5.1424 15.2745 H 0 0 0 0 0 3.2320 3.5085 14.5581 H 0 0 0 0 0 3.3904 3.7380 16.3326 H 0 0 0 0 0 5.2122 2.3239 16.8334 H 0 0 0 0 0 7.0085 2.2836 16.8372 H 0 0 0 0 0 6.1418 3.7727 17.3447 H 0 0 0 0 0 5.0146 2.9093 12.8096 H 0 0 0 0 0 6.7474 3.3617 12.6749 H 0 0 0 0 0 6.2252 1.6864 12.2946 H 0 0 0 0 0 3.5555 1.6041 14.5293 H 0 0 0 0 0 3.8102 0.1313 13.5333 H 0 0 0 0 0 3.7274 0.0020 15.3232 H 0 0 0 0 0 5.0984 -1.8893 14.4505 H 0 0 0 0 0 6.6585 -2.1635 13.6049 H 0 0 0 0 0 6.5926 -2.1948 15.3994 H 0 0 0 0 0 9.1818 -1.3071 14.5112 H 0 0 0 0 0 11.1440 -2.0647 14.3298 H 0 0 0 0 0 12.6542 -1.5641 13.4952 H 0 0 0 0 0 12.6232 -1.7139 15.2856 H 0 0 0 0 0 14.4100 1.8949 14.1723 H 0 0 0 0 0 14.3018 0.1021 14.1703 H 0 0 0 0 0 13.9228 0.1276 16.6328 H 0 0 0 0 0 14.0501 1.9195 16.6296 H 0 0 0 0 0 17.3918 -0.1419 16.5167 H 0 0 0 0 0 42 40 2 0 0 0 41 40 1 0 0 0 40 39 1 0 0 0 39 38 1 0 0 0 5 6 1 0 0 0 5 4 1 0 0 0 38 37 1 0 0 0 3 2 2 0 0 0 6 11 1 0 0 0 6 7 2 0 0 0 12 11 2 0 0 0 12 36 1 0 0 0 37 36 1 0 0 0 37 33 2 0 0 0 11 10 1 0 0 0 8 7 1 0 0 0 36 35 2 0 0 0 7 9 1 0 0 0 4 2 1 0 0 0 2 1 1 0 0 0 34 33 1 0 0 0 33 32 1 0 0 0 10 9 1 0 0 0 10 16 1 0 0 0 22 21 1 0 0 0 9 13 2 0 0 0 35 32 1 0 0 0 35 16 1 0 0 0 32 31 2 0 0 0 16 15 1 0 0 0 16 24 1 0 0 0 13 14 1 0 0 0 31 30 1 0 0 0 15 14 2 0 0 0 15 21 1 0 0 0 14 17 1 0 0 0 24 30 2 0 0 0 24 23 1 0 0 0 30 28 1 0 0 0 21 19 1 0 0 0 21 23 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 19 20 1 0 0 0 28 29 1 0 0 0 28 26 2 0 0 0 23 26 1 0 0 0 23 25 1 0 0 0 26 27 1 0 0 0 1 43 1 0 0 0 4 44 1 0 0 0 4 45 1 0 0 0 5 46 1 0 0 0 5 47 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 8 50 1 0 0 0 12 51 1 0 0 0 13 52 1 0 0 0 18 53 1 0 0 0 18 54 1 0 0 0 18 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 20 58 1 0 0 0 22 59 1 0 0 0 22 60 1 0 0 0 22 61 1 0 0 0 25 62 1 0 0 0 25 63 1 0 0 0 25 64 1 0 0 0 27 65 1 0 0 0 27 66 1 0 0 0 27 67 1 0 0 0 29 68 1 0 0 0 29 69 1 0 0 0 29 70 1 0 0 0 31 71 1 0 0 0 34 72 1 0 0 0 34 73 1 0 0 0 34 74 1 0 0 0 38 75 1 0 0 0 38 76 1 0 0 0 39 77 1 0 0 0 39 78 1 0 0 0 41 79 1 0 0 0 M END $$$$