JS1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 48 0 0 0 0 0 0 0 0999 V2000 0.8350 4.4413 0.7878 C 0 0 0 0 0 0.8413 3.4896 -0.4107 C 0 0 0 0 0 0.7718 2.1183 0.0593 O 0 0 0 0 0 0.7685 1.1489 -0.8786 C 0 0 0 0 0 0.8223 1.4435 -2.0576 O 0 0 0 0 0 0.7006 -0.2593 -0.4776 C 0 0 0 0 0 1.7579 -1.0871 -0.1357 C 0 0 0 0 0 1.2867 -2.3051 0.1728 O 0 0 0 0 0 -0.0580 -2.3578 0.0577 C 0 0 0 0 0 -0.5103 -1.0933 -0.3461 C 0 0 0 0 0 -1.8689 -0.8601 -0.5367 C 0 0 0 0 0 -2.7737 -1.8842 -0.3228 C 0 0 0 0 0 -2.3263 -3.1370 0.0806 C 0 0 0 0 0 -0.9812 -3.3764 0.2635 C 0 0 0 0 0 -4.1033 -1.6649 -0.5071 O 0 0 0 0 0 -2.3509 0.4997 -0.9740 C 0 0 0 0 0 -2.5066 1.3651 0.2025 N 0 0 0 0 0 -2.7156 2.7630 -0.1965 C 0 0 0 0 0 -3.6019 0.8942 1.0620 C 0 0 0 0 0 3.1788 -0.6906 -0.1125 C 0 0 0 0 0 4.1598 -1.6164 0.2510 C 0 0 0 0 0 5.4869 -1.2396 0.2696 C 0 0 0 0 0 5.8466 0.0531 -0.0690 C 0 0 0 0 0 4.8798 0.9760 -0.4304 C 0 0 0 0 0 3.5500 0.6107 -0.4603 C 0 0 0 0 0 -0.0829 4.2990 1.3587 H 0 0 0 0 0 1.6942 4.2311 1.4235 H 0 0 0 0 0 0.8873 5.4705 0.4348 H 0 0 0 0 0 -0.0189 3.7007 -1.0474 H 0 0 0 0 0 1.7592 3.6319 -0.9826 H 0 0 0 0 0 -3.0386 -3.9324 0.2468 H 0 0 0 0 0 -0.6443 -4.3534 0.5785 H 0 0 0 0 0 -4.4112 -1.8453 -1.4050 H 0 0 0 0 0 -1.6243 0.9405 -1.6560 H 0 0 0 0 0 -3.3106 0.3984 -1.4806 H 0 0 0 0 0 -3.6164 2.8365 -0.8066 H 0 0 0 0 0 -2.8283 3.3822 0.6935 H 0 0 0 0 0 -1.8570 3.1085 -0.7738 H 0 0 0 0 0 -3.3414 -0.0784 1.4809 H 0 0 0 0 0 -3.7613 1.6072 1.8704 H 0 0 0 0 0 -4.5132 0.8031 0.4711 H 0 0 0 0 0 3.8805 -2.6257 0.5162 H 0 0 0 0 0 6.2456 -1.9545 0.5502 H 0 0 0 0 0 6.8859 0.3447 -0.0475 H 0 0 0 0 0 5.1683 1.9829 -0.6935 H 0 0 0 0 0 2.7978 1.3320 -0.7411 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 4 2 0 0 0 4 6 1 0 0 0 23 24 2 0 0 0 23 22 1 0 0 0 24 25 1 0 0 0 22 21 2 0 0 0 25 20 2 0 0 0 21 20 1 0 0 0 20 7 1 0 0 0 6 7 2 0 0 0 6 10 1 0 0 0 16 11 1 0 0 0 16 17 1 0 0 0 7 8 1 0 0 0 10 11 2 0 0 0 10 9 1 0 0 0 19 17 1 0 0 0 11 12 1 0 0 0 8 9 1 0 0 0 9 14 2 0 0 0 17 18 1 0 0 0 12 15 1 0 0 0 12 13 2 0 0 0 14 13 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 13 31 1 0 0 0 14 32 1 0 0 0 15 33 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 18 36 1 0 0 0 18 37 1 0 0 0 18 38 1 0 0 0 19 39 1 0 0 0 19 40 1 0 0 0 19 41 1 0 0 0 21 42 1 0 0 0 22 43 1 0 0 0 23 44 1 0 0 0 24 45 1 0 0 0 25 46 1 0 0 0 M END $$$$