JN5 Converted by convert_cif2sdf.py 2026/01/30 11:05:38 43 46 0 0 0 0 0 0 0 0999 V2000 4.9622 2.1229 0.3648 C 0 0 0 0 0 6.2124 2.2463 0.9512 C 0 0 0 0 0 7.1654 1.2729 0.7184 C 0 0 0 0 0 6.8953 0.2357 -0.0515 N 0 0 0 0 0 5.7182 0.0869 -0.6257 C 0 0 0 0 0 4.7144 1.0177 -0.4338 C 0 0 0 0 0 3.3715 0.8385 -1.0938 C 0 0 0 0 0 2.4514 0.0392 -0.1692 C 0 0 0 0 0 1.1455 -0.1347 -0.8105 N 0 0 0 0 0 0.1423 -0.8307 -0.1604 C 0 0 0 0 0 -1.0330 -0.9784 -0.7546 N 0 0 0 0 0 0.3797 -1.3373 1.0407 N 0 0 0 0 0 -0.5573 -2.0089 1.6894 C 0 0 0 0 0 -1.7989 -2.1780 1.0986 C 0 0 0 0 0 -2.0130 -1.6380 -0.1604 C 0 0 0 0 0 -3.3466 -1.8017 -0.8433 C 0 0 0 0 0 -3.9137 -3.1168 -0.5048 C 0 0 0 0 0 -4.3511 -4.1324 -0.2431 N 0 0 0 0 0 -4.2837 -0.7165 -0.3818 C 0 0 0 0 0 -4.8265 0.1448 -1.1564 N 0 0 0 0 0 -5.6456 1.0594 -0.6052 C 0 0 0 0 0 -6.3650 2.1082 -1.2148 C 0 0 0 0 0 -7.1482 2.9333 -0.4666 C 0 0 0 0 0 -7.2528 2.7612 0.9070 C 0 0 0 0 0 -6.5615 1.7454 1.5292 C 0 0 0 0 0 -5.7562 0.8910 0.7795 C 0 0 0 0 0 -4.7600 -0.4858 1.2412 S 0 0 0 0 0 4.1991 2.8685 0.5292 H 0 0 0 0 0 6.4392 3.0929 1.5830 H 0 0 0 0 0 8.1406 1.3614 1.1718 H 0 0 0 0 0 5.5341 -0.7753 -1.2500 H 0 0 0 0 0 2.9303 1.8159 -1.2894 H 0 0 0 0 0 3.4973 0.3014 -2.0342 H 0 0 0 0 0 2.8926 -0.9381 0.0264 H 0 0 0 0 0 2.3256 0.5764 0.7712 H 0 0 0 0 0 0.9847 0.2379 -1.6922 H 0 0 0 0 0 -0.3573 -2.4200 2.6676 H 0 0 0 0 0 -2.5826 -2.7218 1.6061 H 0 0 0 0 0 -3.2129 -1.7310 -1.9230 H 0 0 0 0 0 -6.2951 2.2565 -2.2823 H 0 0 0 0 0 -7.6924 3.7322 -0.9467 H 0 0 0 0 0 -7.8774 3.4234 1.4876 H 0 0 0 0 0 -6.6439 1.6126 2.5979 H 0 0 0 0 0 6 1 2 0 0 0 1 2 1 0 0 0 1 28 1 0 0 0 3 2 2 0 0 0 2 29 1 0 0 0 4 3 1 0 0 0 3 30 1 0 0 0 5 4 2 0 0 0 5 6 1 0 0 0 5 31 1 0 0 0 7 6 1 0 0 0 7 8 1 0 0 0 7 32 1 0 0 0 7 33 1 0 0 0 9 8 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 9 10 1 0 0 0 9 36 1 0 0 0 12 10 2 0 0 0 10 11 1 0 0 0 11 15 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 37 1 0 0 0 14 15 1 0 0 0 14 38 1 0 0 0 15 16 1 0 0 0 16 19 1 0 0 0 16 17 1 0 0 0 16 39 1 0 0 0 17 18 3 0 0 0 27 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 26 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 40 1 0 0 0 24 23 1 0 0 0 23 41 1 0 0 0 25 24 2 0 0 0 24 42 1 0 0 0 26 25 1 0 0 0 25 43 1 0 0 0 27 26 1 0 0 0 M END $$$$