0MS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 49 52 0 0 0 0 0 0 0 0999 V2000 1.5871 2.7578 -1.2107 C 0 0 0 0 0 1.2058 3.6150 -0.1938 C 0 0 0 0 0 2.0928 1.5091 -0.9119 C 0 0 0 0 0 1.3285 3.2264 1.1277 C 0 0 0 0 0 -6.0676 -0.5240 0.6737 C 0 0 0 0 0 -4.7758 1.4263 0.1785 C 0 0 0 0 0 2.2242 1.1128 0.4174 C 0 0 0 0 0 2.3833 -1.5228 0.1454 C 0 0 0 0 0 -4.9196 -1.2768 0.4981 C 0 0 0 0 0 1.8341 1.9785 1.4390 C 0 0 0 0 0 -5.9884 0.8526 0.5100 C 0 0 0 0 0 2.7657 -0.2273 0.7449 C 0 0 0 0 0 3.1857 -2.4159 0.8090 C 0 0 0 0 0 -3.7316 -0.6326 0.1691 C 0 0 0 0 0 1.3827 -1.7904 -0.9030 C 0 0 0 0 0 -1.5315 -0.9696 0.9440 C 0 0 0 0 0 -2.0915 -1.2774 -1.3956 C 0 0 0 0 0 -0.3409 -1.9276 0.8371 C 0 0 0 0 0 -0.9233 -2.2487 -1.5983 C 0 0 0 0 0 -4.9563 -2.7744 0.6604 C 0 0 0 0 0 3.2303 -3.9093 0.6085 C 0 0 0 0 0 -3.6954 0.6835 0.0265 N 0 0 0 0 0 3.6871 -0.5197 1.6276 N 0 0 0 0 0 -2.5710 -1.3769 -0.0108 N 0 0 0 0 0 0.0907 -1.9813 -0.5688 N 0 0 0 0 0 1.7219 -1.8383 -2.0693 O 0 0 0 0 0 3.9189 -1.7033 1.6680 O 0 0 0 0 0 1.9878 1.4921 3.0980 CL 0 0 0 0 0 -7.5252 1.9316 0.7376 BR 0 0 0 0 0 1.4856 3.0650 -2.2416 H 0 0 0 0 0 0.8107 4.5912 -0.4335 H 0 0 0 0 0 2.3864 0.8402 -1.7073 H 0 0 0 0 0 1.0296 3.9000 1.9167 H 0 0 0 0 0 -7.0037 -0.9978 0.9291 H 0 0 0 0 0 -4.7093 2.4964 0.0538 H 0 0 0 0 0 -1.9340 -1.0017 1.9563 H 0 0 0 0 0 -1.2043 0.0448 0.7150 H 0 0 0 0 0 -1.7560 -0.2595 -1.5921 H 0 0 0 0 0 -2.8999 -1.5329 -2.0800 H 0 0 0 0 0 0.4782 -1.5653 1.4580 H 0 0 0 0 0 -0.6396 -2.9220 1.1682 H 0 0 0 0 0 -1.2802 -3.2749 -1.5046 H 0 0 0 0 0 -0.4900 -2.0989 -2.5874 H 0 0 0 0 0 -5.0868 -3.2423 -0.3156 H 0 0 0 0 0 -4.0213 -3.1147 1.1047 H 0 0 0 0 0 -5.7877 -3.0493 1.3093 H 0 0 0 0 0 3.9670 -4.1505 -0.1573 H 0 0 0 0 0 3.5081 -4.3932 1.5452 H 0 0 0 0 0 2.2495 -4.2638 0.2931 H 0 0 0 0 0 29 11 1 0 0 0 11 5 2 0 0 0 11 6 1 0 0 0 5 9 1 0 0 0 6 22 2 0 0 0 9 20 1 0 0 0 9 14 2 0 0 0 22 14 1 0 0 0 14 24 1 0 0 0 24 17 1 0 0 0 24 16 1 0 0 0 17 19 1 0 0 0 19 25 1 0 0 0 16 18 1 0 0 0 25 18 1 0 0 0 25 15 1 0 0 0 15 26 2 0 0 0 15 8 1 0 0 0 2 4 2 0 0 0 2 1 1 0 0 0 4 10 1 0 0 0 1 3 2 0 0 0 10 28 1 0 0 0 10 7 2 0 0 0 8 12 1 0 0 0 8 13 2 0 0 0 3 7 1 0 0 0 7 12 1 0 0 0 12 23 2 0 0 0 13 21 1 0 0 0 13 27 1 0 0 0 23 27 1 0 0 0 1 30 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 5 34 1 0 0 0 6 35 1 0 0 0 16 36 1 0 0 0 16 37 1 0 0 0 17 38 1 0 0 0 17 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 42 1 0 0 0 19 43 1 0 0 0 20 44 1 0 0 0 20 45 1 0 0 0 20 46 1 0 0 0 21 47 1 0 0 0 21 48 1 0 0 0 21 49 1 0 0 0 M END $$$$