AO Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 42 0 0 0 0 0 0 0 0999 V2000 -2.4441 -1.9629 -0.0251 C 0 0 0 0 0 -3.5891 -1.2359 -0.0145 C 0 0 0 0 0 -3.5650 0.1661 0.0025 C 0 0 0 0 0 -2.3800 0.8641 0.0030 C 0 0 0 0 0 2.3800 0.8639 0.0030 C 0 0 0 0 0 3.5649 0.1649 -0.0065 C 0 0 0 0 0 3.5889 -1.2360 -0.0235 C 0 0 0 0 0 2.4439 -1.9640 -0.0311 C 0 0 0 0 0 -0.0001 -2.0259 -0.0293 C 0 0 0 0 0 -0.0000 0.8110 0.0048 N 0 3 0 0 0 -1.1601 0.1600 -0.0016 C 0 0 0 0 0 1.1969 -1.3060 -0.0227 C 0 0 0 0 0 -1.1971 -1.3059 -0.0197 C 0 0 0 0 0 1.1599 0.1600 -0.0045 C 0 0 0 0 0 -4.7690 0.8671 0.0130 N 0 0 0 0 0 -6.0400 0.1401 0.0064 C 0 0 0 0 0 -4.7630 2.3320 0.0311 C 0 0 0 0 0 4.7690 0.8659 0.0010 N 0 0 0 0 0 6.0370 0.1425 0.1204 C 0 0 0 0 0 4.7660 2.3272 -0.1109 C 0 0 0 0 0 -2.4882 -3.0428 -0.0381 H 0 0 0 0 0 -4.5401 -1.7478 -0.0196 H 0 0 0 0 0 -2.3850 1.9440 0.0120 H 0 0 0 0 0 2.3850 1.9429 0.0170 H 0 0 0 0 0 4.5399 -1.7481 -0.0294 H 0 0 0 0 0 2.4878 -3.0430 -0.0432 H 0 0 0 0 0 -0.0002 -3.1059 -0.0423 H 0 0 0 0 0 0.0000 1.7810 0.0166 H 0 0 0 0 0 -6.8660 0.8511 0.0158 H 0 0 0 0 0 -6.1024 -0.4753 -0.8913 H 0 0 0 0 0 -6.0997 -0.4974 0.8886 H 0 0 0 0 0 -5.7890 2.6991 0.0366 H 0 0 0 0 0 -4.2456 2.6825 0.9239 H 0 0 0 0 0 -4.2483 2.7046 -0.8560 H 0 0 0 0 0 5.8470 -0.9305 0.1014 H 0 0 0 0 0 6.6877 0.4108 -0.7121 H 0 0 0 0 0 6.5204 0.4098 1.0599 H 0 0 0 0 0 4.7134 2.7674 0.8854 H 0 0 0 0 0 5.6808 2.6556 -0.6053 H 0 0 0 0 0 3.9027 2.6449 -0.6946 H 0 0 0 0 0 1 2 2 0 0 0 1 13 1 0 0 0 1 21 1 0 0 0 2 3 1 0 0 0 2 22 1 0 0 0 3 4 2 0 0 0 3 15 1 0 0 0 4 11 1 0 0 0 4 23 1 0 0 0 5 6 2 0 0 0 5 14 1 0 0 0 5 24 1 0 0 0 6 7 1 0 0 0 6 18 1 0 0 0 7 8 2 0 0 0 7 25 1 0 0 0 8 12 1 0 0 0 8 26 1 0 0 0 9 12 2 0 0 0 9 13 1 0 0 0 9 27 1 0 0 0 10 11 1 0 0 0 10 14 2 0 0 0 10 28 1 0 0 0 11 13 2 0 0 0 12 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 29 1 0 0 0 16 30 1 0 0 0 16 31 1 0 0 0 17 32 1 0 0 0 17 33 1 0 0 0 17 34 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 35 1 0 0 0 19 36 1 0 0 0 19 37 1 0 0 0 20 38 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 M END $$$$