MES Converted by convert_cif2sdf.py 2024/03/29 11:09:15 25 25 0 0 0 0 0 0 0 0999 V2000 -2.0129 0.3746 0.6416 O 0 0 0 0 0 -1.7045 -0.8379 -0.0446 C 0 0 0 0 0 -0.2779 -1.2742 0.2924 C 0 0 0 0 0 0.6653 -0.2390 -0.1535 N 0 3 0 0 0 0.3069 1.0423 0.4731 C 0 0 0 0 0 -1.1434 1.3845 0.1296 C 0 0 0 0 0 2.0294 -0.6144 0.2408 C 0 0 0 0 0 3.0233 0.4010 -0.3275 C 0 0 0 0 0 4.7075 -0.0623 0.1597 S 0 0 0 0 0 5.0122 -1.3857 -0.3619 O 0 0 0 0 0 4.8021 -0.0752 1.6115 O 0 0 0 0 0 5.6484 0.9056 -0.3822 O 0 5 0 0 0 -1.7907 -0.6776 -1.1199 H 0 0 0 0 0 -2.4036 -1.6163 0.2613 H 0 0 0 0 0 -0.0545 -2.2131 -0.2158 H 0 0 0 0 0 -0.1850 -1.4117 1.3693 H 0 0 0 0 0 0.6173 -0.1481 -1.1571 H 0 0 0 0 0 0.4153 0.9592 1.5547 H 0 0 0 0 0 0.9642 1.8276 0.1010 H 0 0 0 0 0 -1.2545 1.4437 -0.9526 H 0 0 0 0 0 -1.4041 2.3460 0.5737 H 0 0 0 0 0 2.2610 -1.6051 -0.1489 H 0 0 0 0 0 2.1038 -0.6249 1.3289 H 0 0 0 0 0 2.7917 1.3927 0.0622 H 0 0 0 0 0 2.9489 0.4124 -1.4147 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 2 13 1 0 0 0 2 14 1 0 0 0 3 4 1 0 0 0 3 15 1 0 0 0 3 16 1 0 0 0 4 5 1 0 0 0 4 7 1 0 0 0 4 17 1 0 0 0 5 6 1 0 0 0 5 18 1 0 0 0 5 19 1 0 0 0 6 20 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 7 22 1 0 0 0 7 23 1 0 0 0 8 9 1 0 0 0 8 24 1 0 0 0 8 25 1 0 0 0 9 10 2 0 0 0 9 11 2 0 0 0 9 12 1 0 0 0 M END $$$$