PTR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 29 29 0 0 0 0 0 0 0 0999 V2000 2.7493 1.2384 1.6606 N 0 0 0 0 0 3.0107 -0.0381 0.9843 C 0 0 0 0 0 4.4293 -0.0555 0.4746 C 0 0 0 0 0 4.9669 0.9753 0.1511 O 0 0 0 0 0 5.0935 -1.2175 0.3803 O 0 0 0 0 0 2.0443 -0.2005 -0.1894 C 0 0 0 0 0 0.6267 -0.1832 0.3212 C 0 0 0 0 0 -0.0569 1.0140 0.4183 C 0 0 0 0 0 0.0099 -1.3657 0.6843 C 0 0 0 0 0 -1.3564 1.0323 0.8848 C 0 0 0 0 0 -1.2875 -1.3518 1.1584 C 0 0 0 0 0 -1.9752 -0.1519 1.2567 C 0 0 0 0 0 -3.2536 -0.1362 1.7169 O 0 0 0 0 0 -4.2123 -0.3091 0.4361 P 0 0 0 0 0 -3.9106 -1.5947 -0.2340 O 0 0 0 0 0 -5.7506 -0.3008 0.9101 O 0 0 0 0 0 -3.9598 0.9021 -0.5913 O 0 0 0 0 0 2.8931 1.9645 0.9741 H 0 0 0 0 0 1.7677 1.2492 1.8924 H 0 0 0 0 0 2.8685 -0.8578 1.6886 H 0 0 0 0 0 6.0032 -1.2287 0.0523 H 0 0 0 0 0 2.1866 0.6182 -0.8938 H 0 0 0 0 0 2.2385 -1.1489 -0.6910 H 0 0 0 0 0 0.4248 1.9356 0.1286 H 0 0 0 0 0 0.5450 -2.3003 0.6076 H 0 0 0 0 0 -1.8897 1.9690 0.9616 H 0 0 0 0 0 -1.7672 -2.2742 1.4471 H 0 0 0 0 0 -6.2896 -0.4063 0.1154 H 0 0 0 0 0 -4.1668 1.7186 -0.1169 H 0 0 0 0 0 1 2 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 2 3 1 0 0 0 2 6 1 0 0 0 2 20 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 5 21 1 0 0 0 6 7 1 0 0 0 6 22 1 0 0 0 6 23 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 8 24 1 0 0 0 9 11 2 0 0 0 9 25 1 0 0 0 10 12 2 0 0 0 10 26 1 0 0 0 11 12 1 0 0 0 11 27 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 16 28 1 0 0 0 17 29 1 0 0 0 M END $$$$