J0W Converted by convert_cif2sdf.py 2026/01/30 11:05:38 54 56 0 0 0 0 0 0 0 0999 V2000 0.8781 5.0227 -0.3063 C 0 0 0 0 0 1.2772 3.6837 0.3174 C 0 0 0 0 0 0.5933 3.5299 1.6768 C 0 0 0 0 0 0.8408 2.5421 -0.6045 C 0 0 0 0 0 1.3282 1.2653 -0.0670 N 0 0 0 0 0 2.7733 1.1134 -0.2954 C 0 0 0 0 0 3.2881 -0.0249 0.5857 C 0 0 0 0 0 2.4250 -1.2475 0.4028 C 0 0 0 0 0 2.9163 -2.4719 0.8272 C 0 0 0 0 0 2.1548 -3.6201 0.6815 C 0 0 0 0 0 0.8935 -3.5398 0.1084 C 0 0 0 0 0 0.4078 -2.3200 -0.3140 C 0 0 0 0 0 1.1725 -1.1703 -0.1684 C 0 0 0 0 0 0.5998 0.1354 -0.6544 C 0 0 0 0 0 0.7098 0.2012 -2.1784 C 0 0 0 0 0 -0.8523 0.2203 -0.2591 C 0 0 0 0 0 -1.2014 0.7476 0.9718 C 0 0 0 0 0 -2.5276 0.8277 1.3398 C 0 0 0 0 0 -3.5208 0.3740 0.4655 C 0 0 0 0 0 -3.1603 -0.1572 -0.7764 C 0 0 0 0 0 -1.8294 -0.2252 -1.1320 C 0 0 0 0 0 -4.9393 0.4553 0.8513 C 0 0 0 0 0 -5.8948 0.0172 0.0057 C 0 0 0 0 0 -7.3033 0.0981 0.3883 C 0 0 0 0 0 -7.6143 0.5611 1.4698 O 0 0 0 0 0 -8.2588 -0.3400 -0.4572 O 0 0 0 0 0 2.6401 -4.8188 1.0980 O 0 0 0 0 0 1.1885 5.8354 0.3503 H 0 0 0 0 0 1.3655 5.1322 -1.2748 H 0 0 0 0 0 -0.2034 5.0550 -0.4367 H 0 0 0 0 0 2.3586 3.6514 0.4478 H 0 0 0 0 0 -0.4881 3.5622 1.5464 H 0 0 0 0 0 0.8778 2.5752 2.1210 H 0 0 0 0 0 0.9037 4.3427 2.3334 H 0 0 0 0 0 -0.2475 2.5196 -0.6646 H 0 0 0 0 0 1.2564 2.6999 -1.5995 H 0 0 0 0 0 2.9549 0.8757 -1.3439 H 0 0 0 0 0 3.2848 2.0393 -0.0333 H 0 0 0 0 0 4.3146 -0.2625 0.3075 H 0 0 0 0 0 3.2598 0.2853 1.6304 H 0 0 0 0 0 3.8981 -2.5314 1.2738 H 0 0 0 0 0 0.2939 -4.4306 -0.0072 H 0 0 0 0 0 2.4263 -5.0312 2.0171 H 0 0 0 0 0 -0.5738 -2.2585 -0.7597 H 0 0 0 0 0 1.7595 0.1497 -2.4701 H 0 0 0 0 0 0.1694 -0.6376 -2.6184 H 0 0 0 0 0 0.2791 1.1374 -2.5340 H 0 0 0 0 0 -0.4339 1.0973 1.6452 H 0 0 0 0 0 -1.5489 -0.6321 -2.0928 H 0 0 0 0 0 -2.7994 1.2396 2.3013 H 0 0 0 0 0 -3.9212 -0.5100 -1.4568 H 0 0 0 0 0 -5.2152 0.8666 1.8119 H 0 0 0 0 0 -5.6188 -0.3931 -0.9549 H 0 0 0 0 0 -9.1593 -0.2457 -0.1170 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 14 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 13 2 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 10 27 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 21 2 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 3 33 1 0 0 0 3 34 1 0 0 0 4 35 1 0 0 0 4 36 1 0 0 0 6 37 1 0 0 0 6 38 1 0 0 0 7 39 1 0 0 0 7 40 1 0 0 0 9 41 1 0 0 0 11 42 1 0 0 0 27 43 1 0 0 0 12 44 1 0 0 0 15 45 1 0 0 0 15 46 1 0 0 0 15 47 1 0 0 0 17 48 1 0 0 0 21 49 1 0 0 0 18 50 1 0 0 0 20 51 1 0 0 0 22 52 1 0 0 0 23 53 1 0 0 0 26 54 1 0 0 0 M END $$$$