JJ3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 49 0 0 0 0 0 0 0 0999 V2000 3.8724 0.9580 -0.4642 C 0 0 0 0 0 3.6093 -0.3889 -0.2631 C 0 0 0 0 0 2.3030 -0.8327 -0.2181 C 0 0 0 0 0 1.2533 0.0648 -0.3752 C 0 0 0 0 0 -0.0196 -0.4119 -0.3233 O 0 0 0 0 0 -1.0306 0.3733 -0.9552 C 0 0 0 0 0 -0.9614 1.8037 -0.4352 C 0 0 0 0 0 -1.0089 1.8120 1.1091 C 0 0 0 0 0 -0.3106 3.1315 1.5011 C 0 0 0 0 0 0.5928 3.5187 0.3171 C 0 0 0 0 0 0.4131 2.4212 -0.7554 C 0 0 0 0 0 1.5127 1.4072 -0.5772 C 0 0 0 0 0 2.8262 1.8507 -0.6203 C 0 0 0 0 0 -2.3856 -0.2091 -0.6443 C 0 0 0 0 0 -3.3577 -0.2593 -1.6262 C 0 0 0 0 0 -4.6001 -0.7925 -1.3443 C 0 0 0 0 0 -4.8732 -1.2777 -0.0734 C 0 0 0 0 0 -6.0943 -1.8027 0.2063 O 0 0 0 0 0 -3.8961 -1.2270 0.9105 C 0 0 0 0 0 -2.6533 -0.6979 0.6216 C 0 0 0 0 0 2.0144 -2.2955 0.0006 C 0 0 0 0 0 3.2457 -3.0092 0.1327 O 0 0 0 0 0 3.0839 -4.4134 0.3453 C 0 0 0 0 0 5.1577 1.4017 -0.5031 O 0 0 0 0 0 4.4231 -1.0877 -0.1412 H 0 0 0 0 0 3.0337 2.8988 -0.7769 H 0 0 0 0 0 5.5496 1.3955 -1.3869 H 0 0 0 0 0 1.4243 -2.4174 0.9093 H 0 0 0 0 0 1.4569 -2.6871 -0.8499 H 0 0 0 0 0 -0.8726 0.3704 -2.0333 H 0 0 0 0 0 -1.7706 2.4046 -0.8498 H 0 0 0 0 0 -2.0409 1.8074 1.4585 H 0 0 0 0 0 -0.4651 0.9577 1.5116 H 0 0 0 0 0 0.4235 2.8491 -1.7572 H 0 0 0 0 0 -1.0546 3.9095 1.6733 H 0 0 0 0 0 0.2907 2.9829 2.3974 H 0 0 0 0 0 0.2890 4.4862 -0.0835 H 0 0 0 0 0 1.6334 3.5585 0.6396 H 0 0 0 0 0 -3.1442 0.1184 -2.6162 H 0 0 0 0 0 -1.8915 -0.6612 1.3861 H 0 0 0 0 0 -5.3588 -0.8309 -2.1118 H 0 0 0 0 0 -6.1612 -2.7535 0.0445 H 0 0 0 0 0 -4.1066 -1.6035 1.9005 H 0 0 0 0 0 4.0636 -4.8828 0.4352 H 0 0 0 0 0 2.5153 -4.5793 1.2610 H 0 0 0 0 0 2.5479 -4.8490 -0.4982 H 0 0 0 0 0 1 2 1 0 0 0 1 13 2 0 0 0 1 24 1 0 0 0 2 3 2 0 0 0 2 25 1 0 0 0 3 4 1 0 0 0 3 21 1 0 0 0 4 5 1 0 0 0 4 12 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 14 1 0 0 0 6 30 1 0 0 0 7 8 1 0 0 0 7 11 1 0 0 0 7 31 1 0 0 0 8 9 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 10 1 0 0 0 9 35 1 0 0 0 9 36 1 0 0 0 10 11 1 0 0 0 10 37 1 0 0 0 10 38 1 0 0 0 11 12 1 0 0 0 11 34 1 0 0 0 12 13 1 0 0 0 13 26 1 0 0 0 14 15 1 0 0 0 14 20 2 0 0 0 15 16 2 0 0 0 15 39 1 0 0 0 16 17 1 0 0 0 16 41 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 18 42 1 0 0 0 19 20 1 0 0 0 19 43 1 0 0 0 20 40 1 0 0 0 21 22 1 0 0 0 21 28 1 0 0 0 21 29 1 0 0 0 22 23 1 0 0 0 23 44 1 0 0 0 23 45 1 0 0 0 23 46 1 0 0 0 24 27 1 0 0 0 M END $$$$