C2R Converted by convert_cif2sdf.py 2024/03/29 11:09:15 36 37 0 0 0 0 0 0 0 0999 V2000 -4.8962 -1.1857 0.1436 P 0 0 0 0 0 -4.5853 -1.7334 -1.1955 O 0 0 0 0 0 -5.4549 -2.3626 1.0892 O 0 0 0 0 0 -6.0132 -0.0331 0.0064 O 0 0 0 0 0 -3.5610 -0.5634 0.7923 O 0 0 0 0 0 0.3075 1.9339 -0.4649 C 0 0 0 0 0 0.9026 3.1424 0.0091 O 0 0 0 0 0 -1.2288 2.0871 -0.5603 C 0 0 0 0 0 -1.6292 3.3947 -0.1452 O 0 0 0 0 0 -3.0514 0.3878 -0.1435 C 0 0 0 0 0 -1.7741 1.0197 0.4140 C 0 0 0 0 0 -0.7239 0.0321 0.5063 O 0 0 0 0 0 0.5059 0.7893 0.5531 C 0 0 0 0 0 1.6385 -0.0535 0.1594 N 0 0 0 0 0 2.9478 0.1602 0.4753 C 0 0 0 0 0 3.6638 -0.8762 -0.1085 C 0 0 0 0 0 2.7667 -1.6797 -0.7432 N 0 0 0 0 0 1.5726 -1.1927 -0.5881 C 0 0 0 0 0 3.4594 1.2021 1.2205 N 0 0 0 0 0 5.1122 -1.0747 -0.0440 C 0 0 0 0 0 5.6756 -2.1382 -0.6534 O 0 0 0 0 0 5.8082 -0.2794 0.5592 O 0 0 0 0 0 -6.2524 -2.7073 0.6663 H 0 0 0 0 0 -6.1859 0.2962 0.8986 H 0 0 0 0 0 0.7243 1.6576 -1.4336 H 0 0 0 0 0 0.6933 3.8296 -0.6382 H 0 0 0 0 0 -1.5717 1.8876 -1.5756 H 0 0 0 0 0 -1.2616 4.0158 -0.7878 H 0 0 0 0 0 -3.7955 1.1649 -0.3147 H 0 0 0 0 0 -2.8265 -0.1137 -1.0851 H 0 0 0 0 0 -1.9661 1.4607 1.3922 H 0 0 0 0 0 0.6642 1.1937 1.5531 H 0 0 0 0 0 0.6675 -1.6231 -0.9900 H 0 0 0 0 0 2.8652 1.8789 1.5799 H 0 0 0 0 0 4.4127 1.2553 1.3890 H 0 0 0 0 0 6.6268 -2.0819 -0.4907 H 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 23 1 0 0 0 4 24 1 0 0 0 5 10 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 13 1 0 0 0 6 25 1 0 0 0 7 26 1 0 0 0 8 9 1 0 0 0 8 11 1 0 0 0 8 27 1 0 0 0 9 28 1 0 0 0 10 11 1 0 0 0 10 29 1 0 0 0 10 30 1 0 0 0 11 12 1 0 0 0 11 31 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 1 0 0 0 14 18 1 0 0 0 15 16 2 0 0 0 15 19 1 0 0 0 16 17 1 0 0 0 16 20 1 0 0 0 17 18 2 0 0 0 18 33 1 0 0 0 19 34 1 0 0 0 19 35 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 21 36 1 0 0 0 M END $$$$