9TR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 42 0 0 0 0 0 0 0 0999 V2000 -5.3869 -0.7920 -0.2311 C 0 0 0 0 0 -7.2047 0.7820 -0.2998 C 0 0 0 0 0 -7.7359 0.2120 0.8855 C 0 0 0 0 0 -7.0945 -0.8360 1.4761 C 0 0 0 0 0 7.2602 0.5050 1.3816 O 0 0 0 0 0 6.6306 0.8595 0.4131 C 0 0 0 0 0 6.8613 2.0625 -0.1342 O 0 0 0 0 0 5.5853 -0.0500 -0.1799 C 0 0 0 0 0 5.8354 -1.4316 0.2532 N 0 0 0 0 0 4.1983 0.3891 0.2931 C 0 0 0 0 0 3.1303 -0.4545 -0.4058 C 0 0 0 0 0 1.7432 -0.0145 0.0683 C 0 0 0 0 0 0.6752 -0.8580 -0.6316 C 0 0 0 0 0 -0.6529 -0.4371 -0.1776 N 0 0 0 0 0 -1.7540 -1.0445 -0.6625 C 0 0 0 0 0 -1.6452 -1.9407 -1.4759 O 0 0 0 0 0 -2.9751 -0.6577 -0.2457 O 0 0 0 0 0 -4.1161 -1.3561 -0.8108 C 0 0 0 0 0 -6.0087 0.2536 -0.8485 C 0 0 0 0 0 -7.8210 1.7962 -0.8894 N 0 0 0 0 0 -8.7688 2.2099 -0.4487 N 0 3 0 0 0 -9.7164 2.6247 -0.0089 N 0 5 0 0 0 -5.9228 -1.3416 0.9265 C 0 0 0 0 0 -8.6460 0.6035 1.3154 H 0 0 0 0 0 -7.4955 -1.2723 2.3789 H 0 0 0 0 0 7.5410 2.6112 0.2817 H 0 0 0 0 0 5.6323 0.0037 -1.2681 H 0 0 0 0 0 5.7977 -1.5082 1.2586 H 0 0 0 0 0 5.1876 -2.0698 -0.1828 H 0 0 0 0 0 4.1221 0.2506 1.3721 H 0 0 0 0 0 4.0476 1.4403 0.0498 H 0 0 0 0 0 3.2064 -0.3161 -1.4838 H 0 0 0 0 0 3.2810 -1.5057 -0.1625 H 0 0 0 0 0 1.6671 -0.1529 1.1463 H 0 0 0 0 0 1.5925 1.0367 -0.1750 H 0 0 0 0 0 0.7514 -0.7196 -1.7096 H 0 0 0 0 0 0.8259 -1.9092 -0.3883 H 0 0 0 0 0 -0.7401 0.2787 0.4710 H 0 0 0 0 0 -4.0476 -2.4169 -0.5713 H 0 0 0 0 0 -4.1212 -1.2273 -1.8926 H 0 0 0 0 0 -5.5921 0.6764 -1.7509 H 0 0 0 0 0 -5.4239 -2.1724 1.4039 H 0 0 0 0 0 3 4 2 0 0 0 3 2 1 0 0 0 4 23 1 0 0 0 20 2 1 0 0 0 20 21 2 0 0 0 2 19 2 0 0 0 23 1 2 0 0 0 21 22 2 0 0 0 19 1 1 0 0 0 1 18 1 0 0 0 18 17 1 0 0 0 14 13 1 0 0 0 14 15 1 0 0 0 13 12 1 0 0 0 15 17 1 0 0 0 15 16 2 0 0 0 12 11 1 0 0 0 11 10 1 0 0 0 5 6 2 0 0 0 10 8 1 0 0 0 6 8 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 3 24 1 0 0 0 4 25 1 0 0 0 7 26 1 0 0 0 8 27 1 0 0 0 9 28 1 0 0 0 9 29 1 0 0 0 10 30 1 0 0 0 10 31 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 13 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 18 39 1 0 0 0 18 40 1 0 0 0 19 41 1 0 0 0 23 42 1 0 0 0 M END $$$$