CRU Converted by convert_cif2sdf.py 2026/01/30 11:05:38 40 41 0 0 0 0 0 0 0 0999 V2000 5.4526 1.3778 0.5907 O 0 0 0 0 0 5.7911 0.2370 0.3793 C 0 0 0 0 0 7.0947 -0.0800 0.3433 O 0 0 0 0 0 4.7496 -0.8306 0.1639 C 0 0 0 0 0 3.3554 -0.2096 0.2615 C 0 0 0 0 0 2.3139 -1.2775 0.0451 C 0 0 0 0 0 2.6715 -2.5146 -0.0826 N 0 0 0 0 0 0.8891 -0.9133 -0.0200 C 0 0 0 0 0 -0.0929 -1.7708 -0.1060 N 0 0 0 0 0 -1.2713 -1.1076 -0.1470 C 0 0 0 0 0 -0.9378 0.3266 -0.0775 C 0 0 0 0 0 -1.7139 1.2648 -0.0859 O 0 0 0 0 0 0.4094 0.3790 0.0054 N 0 0 0 0 0 1.2198 1.5965 0.1022 C 0 0 0 0 0 1.6902 1.9964 -1.2719 C 0 0 0 0 0 1.3816 1.3331 -2.2344 O 0 0 0 0 0 -2.5340 -1.6641 -0.2373 C 0 0 0 0 0 -3.7179 -0.8171 -0.0971 C 0 0 0 0 0 -4.8638 -1.0743 -0.8643 C 0 0 0 0 0 -5.9668 -0.2796 -0.7284 C 0 0 0 0 0 -5.9549 0.7836 0.1690 C 0 0 0 0 0 -7.0528 1.5703 0.2991 O 0 0 0 0 0 -4.8210 1.0443 0.9326 C 0 0 0 0 0 -3.7150 0.2529 0.8114 C 0 0 0 0 0 2.4540 3.0899 -1.4282 O 0 0 0 0 0 7.7257 0.6377 0.4922 H 0 0 0 0 0 4.8821 -1.2724 -0.8236 H 0 0 0 0 0 4.8575 -1.6027 0.9252 H 0 0 0 0 0 3.2229 0.2331 1.2489 H 0 0 0 0 0 3.2465 0.5634 -0.5000 H 0 0 0 0 0 2.0104 -3.1914 -0.2944 H 0 0 0 0 0 0.6185 2.3992 0.5281 H 0 0 0 0 0 2.0820 1.4082 0.7414 H 0 0 0 0 0 -2.6464 -2.7239 -0.4116 H 0 0 0 0 0 -4.8751 -1.8993 -1.5617 H 0 0 0 0 0 -6.8492 -0.4765 -1.3193 H 0 0 0 0 0 -7.6767 1.2657 0.9718 H 0 0 0 0 0 -4.8187 1.8720 1.6276 H 0 0 0 0 0 -2.8375 0.4538 1.4087 H 0 0 0 0 0 2.7312 3.3059 -2.3292 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 26 1 0 0 0 4 5 1 0 0 0 4 27 1 0 0 0 4 28 1 0 0 0 5 6 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 7 31 1 0 0 0 8 9 2 0 0 0 8 13 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 32 1 0 0 0 14 33 1 0 0 0 15 16 2 0 0 0 15 25 1 0 0 0 17 18 1 0 0 0 17 34 1 0 0 0 18 19 2 0 0 0 18 24 1 0 0 0 19 20 1 0 0 0 19 35 1 0 0 0 20 21 2 0 0 0 20 36 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 22 37 1 0 0 0 23 24 2 0 0 0 23 38 1 0 0 0 24 39 1 0 0 0 25 40 1 0 0 0 M END $$$$