JND Converted by convert_cif2sdf.py 2024/03/29 11:09:15 20 21 0 0 0 0 0 0 0 0999 V2000 -2.7996 -0.2571 0.6328 C 0 0 0 0 0 -2.1115 -0.2138 -0.7331 C 0 0 0 0 0 -0.6281 -0.0308 -0.5429 C 0 0 0 0 0 0.2350 -1.0217 -0.4171 C 0 0 0 0 0 1.6136 -0.6090 -0.2439 C 0 0 0 0 0 2.7956 -1.3964 -0.0794 C 0 0 0 0 0 2.7355 -2.6131 -0.0709 O 0 0 0 0 0 3.9783 -0.7656 0.0644 N 0 0 0 0 0 4.0390 0.5904 0.0540 C 0 0 0 0 0 2.9755 1.3242 -0.0943 N 0 0 0 0 0 1.7515 0.7755 -0.2452 C 0 0 0 0 0 0.1756 1.5252 -0.4676 S 0 0 0 0 0 -3.8730 -0.3888 0.4950 H 0 0 0 0 0 -2.4021 -1.0892 1.2139 H 0 0 0 0 0 -2.6139 0.6776 1.1622 H 0 0 0 0 0 -2.2972 -1.1485 -1.2625 H 0 0 0 0 0 -2.5090 0.6184 -1.3142 H 0 0 0 0 0 -0.0626 -2.0603 -0.4403 H 0 0 0 0 0 4.7903 -1.2842 0.1772 H 0 0 0 0 0 4.9979 1.0742 0.1719 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 12 1 0 0 0 4 5 1 0 0 0 7 6 2 0 0 0 5 6 1 0 0 0 5 11 2 0 0 0 12 11 1 0 0 0 6 8 1 0 0 0 11 10 1 0 0 0 8 9 1 0 0 0 10 9 2 0 0 0 1 13 1 0 0 0 1 14 1 0 0 0 1 15 1 0 0 0 2 16 1 0 0 0 2 17 1 0 0 0 4 18 1 0 0 0 8 19 1 0 0 0 9 20 1 0 0 0 M END $$$$