CTA Converted by convert_cif2sdf.py 2025/07/04 12:59:51 98101 0 0 0 0 0 0 0 0999 V2000 -0.3278 -1.8204 -2.6410 C 0 0 0 0 0 0.9524 -1.9752 -1.9240 C 0 0 0 0 0 2.0608 -1.4899 -2.4714 C 0 0 0 0 0 3.4121 -1.5923 -1.8197 C 0 0 0 0 0 3.6621 -0.3800 -1.0159 N 0 0 0 0 0 2.6401 0.1442 -0.2988 C 0 0 0 0 0 2.6751 1.6099 0.0715 C 0 0 0 0 0 1.2961 2.0066 0.4513 N 0 0 0 0 0 1.1892 3.1206 1.2271 C 0 0 0 0 0 -0.0988 3.4679 1.8904 C 0 0 0 0 0 -1.2299 2.4943 2.0390 C 0 0 0 0 0 -1.9292 2.3096 0.7532 N 0 0 0 0 0 -3.2740 2.0947 0.8366 C 0 0 0 0 0 -4.0950 1.9597 -0.4175 C 0 0 0 0 0 -5.5375 2.4528 -0.1453 C 0 0 0 0 0 -6.4146 1.1853 -0.3438 C 0 0 0 0 0 -5.3892 0.0625 0.0166 C 0 0 0 0 0 -4.2235 0.5327 -0.7903 N 0 0 0 0 0 -3.4799 -0.1610 -1.6612 C 0 0 0 0 0 -3.8086 -1.5922 -1.9975 C 0 0 0 0 0 -2.6954 -2.1877 -2.8632 C 0 0 0 0 0 -1.4622 -2.3083 -2.0535 N 0 0 0 0 0 -0.3670 -1.2830 -3.7272 O 0 0 0 0 0 3.5263 -2.8491 -0.9619 C 0 0 0 0 0 4.8945 -2.9044 -0.3322 C 0 0 0 0 0 5.1111 -2.3206 0.9007 C 0 0 0 0 0 6.3646 -2.3700 1.4796 C 0 0 0 0 0 7.4067 -3.0057 0.8207 C 0 0 0 0 0 7.1872 -3.5912 -0.4164 C 0 0 0 0 0 5.9306 -3.5435 -0.9886 C 0 0 0 0 0 8.6414 -3.0554 1.3881 O 0 0 0 0 0 1.6882 -0.5211 0.0410 O 0 0 0 0 0 3.1392 2.4289 -1.1341 C 0 0 0 0 0 3.1734 3.8897 -0.7662 C 0 0 0 0 0 4.3252 4.4435 -0.2385 C 0 0 0 0 0 4.3570 5.7832 0.0989 C 0 0 0 0 0 3.2370 6.5702 -0.0903 C 0 0 0 0 0 2.0851 6.0175 -0.6179 C 0 0 0 0 0 2.0544 4.6781 -0.9603 C 0 0 0 0 0 2.1638 3.8338 1.4173 O 0 0 0 0 0 -0.2366 4.5978 2.3234 O 0 0 0 0 0 -0.7223 1.1549 2.5717 C 0 0 0 0 0 -1.9015 0.1963 2.7494 C 0 0 0 0 0 -1.3929 -1.1441 3.2820 C 0 0 0 0 0 -2.5224 -2.0621 3.4511 N 0 0 0 0 0 -2.3082 -3.3356 3.9220 C 0 0 0 0 0 -3.3673 -4.1975 4.0812 N 0 0 0 0 0 -1.0999 -3.7270 4.2174 N 0 0 0 0 0 -3.8110 2.0198 1.9254 O 0 0 0 0 0 -2.5298 0.3738 -2.1948 O 0 0 0 0 0 -5.0710 -1.6416 -2.7418 N 0 0 0 0 0 -5.8711 -2.7213 -2.6398 C 0 0 0 0 0 -5.5475 -3.6520 -1.9328 O 0 0 0 0 0 0.9608 -2.4788 -0.9715 H 0 0 0 0 0 1.9849 -0.9985 -3.4376 H 0 0 0 0 0 4.1739 -1.6418 -2.6112 H 0 0 0 0 0 4.5500 0.0268 -0.9971 H 0 0 0 0 0 3.3533 1.7596 0.9086 H 0 0 0 0 0 0.5227 1.5055 0.1433 H 0 0 0 0 0 -1.9453 2.9056 2.7665 H 0 0 0 0 0 -1.4700 2.3369 -0.0985 H 0 0 0 0 0 -3.6568 2.5243 -1.2311 H 0 0 0 0 0 -5.6310 2.8263 0.8715 H 0 0 0 0 0 -5.8153 3.2208 -0.8657 H 0 0 0 0 0 -7.2558 1.1790 0.3460 H 0 0 0 0 0 -6.7451 1.0946 -1.3759 H 0 0 0 0 0 -5.1624 0.0698 1.0796 H 0 0 0 0 0 -5.7419 -0.9094 -0.3108 H 0 0 0 0 0 -3.9021 -2.1729 -1.0807 H 0 0 0 0 0 -3.0013 -3.1783 -3.2098 H 0 0 0 0 0 -2.5212 -1.5464 -3.7270 H 0 0 0 0 0 -1.4526 -2.7074 -1.1671 H 0 0 0 0 0 2.7681 -2.8250 -0.1793 H 0 0 0 0 0 3.3775 -3.7295 -1.5858 H 0 0 0 0 0 4.3003 -1.8252 1.4134 H 0 0 0 0 0 6.5334 -1.9127 2.4436 H 0 0 0 0 0 7.9971 -4.0864 -0.9321 H 0 0 0 0 0 5.7587 -3.9998 -1.9525 H 0 0 0 0 0 8.6719 -3.8623 1.9203 H 0 0 0 0 0 4.1367 2.1056 -1.4309 H 0 0 0 0 0 2.4469 2.2793 -1.9625 H 0 0 0 0 0 5.2008 3.8280 -0.0906 H 0 0 0 0 0 5.2567 6.2152 0.5112 H 0 0 0 0 0 3.2611 7.6166 0.1740 H 0 0 0 0 0 1.2096 6.6319 -0.7659 H 0 0 0 0 0 1.1547 4.2461 -1.3726 H 0 0 0 0 0 -0.2317 1.3079 3.5326 H 0 0 0 0 0 -0.0112 0.7290 1.8641 H 0 0 0 0 0 -2.3930 0.0423 1.7874 H 0 0 0 0 0 -2.6126 0.6223 3.4560 H 0 0 0 0 0 -0.9023 -0.9901 4.2429 H 0 0 0 0 0 -0.6818 -1.5701 2.5744 H 0 0 0 0 0 -3.4212 -1.7706 3.2313 H 0 0 0 0 0 -3.2170 -5.0962 4.4138 H 0 0 0 0 0 -4.2672 -3.9043 3.8655 H 0 0 0 0 0 -0.3526 -3.1188 4.1055 H 0 0 0 0 0 -5.3297 -0.8973 -3.3070 H 0 0 0 0 0 -6.8010 -2.7582 -3.1879 H 0 0 0 0 0 1 2 1 0 0 0 1 22 1 0 0 0 1 23 2 0 0 0 2 3 2 0 0 0 2 54 1 0 0 0 3 4 1 0 0 0 3 55 1 0 0 0 4 5 1 0 0 0 4 24 1 0 0 0 4 56 1 0 0 0 5 6 1 0 0 0 5 57 1 0 0 0 6 7 1 0 0 0 6 32 2 0 0 0 7 8 1 0 0 0 7 33 1 0 0 0 7 58 1 0 0 0 8 9 1 0 0 0 8 59 1 0 0 0 9 10 1 0 0 0 9 40 2 0 0 0 10 11 1 0 0 0 10 41 2 0 0 0 11 12 1 0 0 0 11 42 1 0 0 0 11 60 1 0 0 0 12 13 1 0 0 0 12 61 1 0 0 0 13 14 1 0 0 0 13 49 2 0 0 0 14 15 1 0 0 0 14 18 1 0 0 0 14 62 1 0 0 0 15 16 1 0 0 0 15 63 1 0 0 0 15 64 1 0 0 0 16 17 1 0 0 0 16 65 1 0 0 0 16 66 1 0 0 0 17 18 1 0 0 0 17 67 1 0 0 0 17 68 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 50 2 0 0 0 20 21 1 0 0 0 20 51 1 0 0 0 20 69 1 0 0 0 21 22 1 0 0 0 21 70 1 0 0 0 21 71 1 0 0 0 22 72 1 0 0 0 24 25 1 0 0 0 24 73 1 0 0 0 24 74 1 0 0 0 25 26 2 0 0 0 25 30 1 0 0 0 26 27 1 0 0 0 26 75 1 0 0 0 27 28 2 0 0 0 27 76 1 0 0 0 28 29 1 0 0 0 28 31 1 0 0 0 29 30 2 0 0 0 29 77 1 0 0 0 30 78 1 0 0 0 31 79 1 0 0 0 33 34 1 0 0 0 33 80 1 0 0 0 33 81 1 0 0 0 34 35 2 0 0 0 34 39 1 0 0 0 35 36 1 0 0 0 35 82 1 0 0 0 36 37 2 0 0 0 36 83 1 0 0 0 37 38 1 0 0 0 37 84 1 0 0 0 38 39 2 0 0 0 38 85 1 0 0 0 39 86 1 0 0 0 42 43 1 0 0 0 42 87 1 0 0 0 42 88 1 0 0 0 43 44 1 0 0 0 43 89 1 0 0 0 43 90 1 0 0 0 44 45 1 0 0 0 44 91 1 0 0 0 44 92 1 0 0 0 45 46 1 0 0 0 45 93 1 0 0 0 46 47 1 0 0 0 46 48 2 0 0 0 47 94 1 0 0 0 47 95 1 0 0 0 48 96 1 0 0 0 51 52 1 0 0 0 51 97 1 0 0 0 52 53 2 0 0 0 52 98 1 0 0 0 M END $$$$