JSW Converted by convert_cif2sdf.py 2024/03/29 11:09:15 48 51 0 0 0 0 0 0 0 0999 V2000 -0.4146 2.9126 0.4961 C 0 0 0 0 0 -1.0953 1.6333 0.9101 C 0 0 0 0 0 -4.2489 1.5217 -0.7463 C 0 0 0 0 0 -2.1122 -1.2168 0.3094 C 0 0 0 0 0 -2.1917 -2.3146 1.1457 C 0 0 0 0 0 -1.4118 -3.4313 0.8989 C 0 0 0 0 0 -0.5527 -3.4492 -0.1873 C 0 0 0 0 0 6.4136 -0.5799 0.0637 C 0 0 0 0 0 5.0379 -0.1080 -0.3288 C 0 0 0 0 0 3.1978 1.0071 -0.4519 C 0 0 0 0 0 1.0428 1.6762 -1.1100 C 0 0 0 0 0 0.0250 2.8099 -0.9667 C 0 0 0 0 0 0.8169 3.1440 1.3767 C 0 0 0 0 0 1.8110 2.0009 1.1650 C 0 0 0 0 0 -4.1861 0.0175 -0.3669 C 0 0 0 0 0 -2.9609 -0.0019 0.5794 C 0 0 0 0 0 -0.4746 -2.3496 -1.0245 C 0 0 0 0 0 -1.2513 -1.2314 -0.7719 C 0 0 0 0 0 -1.4890 -4.5041 1.7169 F 0 0 0 0 0 0.3626 -2.3656 -2.0839 F 0 0 0 0 0 4.2574 -0.6636 -1.2100 N 0 0 0 0 0 3.1566 -0.0018 -1.2871 N 0 0 0 0 0 2.2021 1.9449 -0.2491 N 0 0 0 0 0 -2.2090 1.2246 0.2694 N 0 0 0 0 0 -2.8108 1.8902 -0.7676 N 0 0 0 0 0 4.3886 0.9605 0.1730 O 0 0 0 0 0 -0.6411 0.9706 1.8188 O 0 0 0 0 0 -1.1071 3.7469 0.6111 H 0 0 0 0 0 -4.7010 1.6566 -1.7293 H 0 0 0 0 0 -4.7873 2.0926 0.0100 H 0 0 0 0 0 -2.8612 -2.3005 1.9930 H 0 0 0 0 0 0.0520 -4.3225 -0.3829 H 0 0 0 0 0 6.3345 -1.2854 0.8899 H 0 0 0 0 0 6.8873 -1.0685 -0.7880 H 0 0 0 0 0 7.0165 0.2748 0.3736 H 0 0 0 0 0 0.5814 0.7341 -0.8137 H 0 0 0 0 0 1.3692 1.6098 -2.1483 H 0 0 0 0 0 -0.8415 2.6024 -1.5939 H 0 0 0 0 0 0.4817 3.7504 -1.2757 H 0 0 0 0 0 1.2857 4.0892 1.1039 H 0 0 0 0 0 0.5147 3.1760 2.4242 H 0 0 0 0 0 2.6956 2.1702 1.7797 H 0 0 0 0 0 1.3459 1.0573 1.4505 H 0 0 0 0 0 -5.0906 -0.2934 0.1571 H 0 0 0 0 0 -4.0128 -0.6024 -1.2462 H 0 0 0 0 0 -3.2869 0.0066 1.6196 H 0 0 0 0 0 -1.1906 -0.3740 -1.4252 H 0 0 0 0 0 -2.6909 2.8884 -0.6744 H 0 0 0 0 0 20 17 1 0 0 0 7 17 2 0 0 0 7 6 1 0 0 0 17 18 1 0 0 0 19 6 1 0 0 0 6 5 2 0 0 0 18 4 2 0 0 0 5 4 1 0 0 0 4 16 1 0 0 0 16 15 1 0 0 0 16 24 1 0 0 0 27 2 2 0 0 0 15 3 1 0 0 0 24 2 1 0 0 0 24 25 1 0 0 0 2 1 1 0 0 0 12 1 1 0 0 0 12 11 1 0 0 0 25 3 1 0 0 0 1 13 1 0 0 0 11 23 1 0 0 0 22 10 2 0 0 0 22 21 1 0 0 0 13 14 1 0 0 0 23 10 1 0 0 0 23 14 1 0 0 0 10 26 1 0 0 0 21 9 2 0 0 0 9 26 1 0 0 0 9 8 1 0 0 0 1 28 1 0 0 0 3 29 1 0 0 0 3 30 1 0 0 0 5 31 1 0 0 0 7 32 1 0 0 0 8 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 11 36 1 0 0 0 11 37 1 0 0 0 12 38 1 0 0 0 12 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 14 42 1 0 0 0 14 43 1 0 0 0 15 44 1 0 0 0 15 45 1 0 0 0 16 46 1 0 0 0 18 47 1 0 0 0 25 48 1 0 0 0 M END $$$$