9JR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 60 63 0 0 0 0 0 0 0 0999 V2000 0.0862 -1.8227 1.5936 N 0 0 0 0 0 -1.0988 -1.6220 0.9078 C 0 0 0 0 0 1.2673 -4.6273 -0.1346 O 0 0 0 0 0 -1.5218 -2.5410 -0.0520 C 0 0 0 0 0 0.5730 -0.5685 2.1829 C 0 0 0 0 0 0.8570 0.4248 1.0855 C 0 0 0 0 0 1.3780 2.2473 -0.9269 C 0 0 0 0 0 2.3280 1.3020 -0.5876 C 0 0 0 0 0 0.1635 2.2744 -0.2664 C 0 0 0 0 0 2.0669 0.3913 0.4181 C 0 0 0 0 0 -0.0948 1.3669 0.7432 C 0 0 0 0 0 3.6513 1.2728 -1.3071 C 0 0 0 0 0 5.9130 2.1597 -1.2893 C 0 0 0 0 0 7.0482 2.1504 -0.2489 C 0 0 0 0 0 1.1139 -2.4405 0.7493 C 0 0 0 0 0 4.9778 1.3689 0.7328 C 0 0 0 0 0 6.3416 1.9947 1.1173 C 0 0 0 0 0 0.5603 -3.6621 0.0636 C 0 0 0 0 0 -2.9896 -0.3684 0.4955 C 0 0 0 0 0 -2.7208 -2.3122 -0.7209 C 0 0 0 0 0 -5.0016 0.8360 0.1228 C 0 0 0 0 0 -5.6361 2.1874 0.4561 C 0 0 0 0 0 -6.9950 2.2997 -0.2385 C 0 0 0 0 0 -7.6286 3.6511 0.0957 C 0 0 0 0 0 -0.7349 -3.6720 -0.3280 N 0 0 0 0 0 -1.8552 -0.5540 1.1508 N 0 0 0 0 0 -3.4222 -1.2198 -0.4185 N 0 0 0 0 0 -3.1769 -3.2048 -1.6814 N 0 0 0 0 0 4.6398 2.0464 -0.5455 N 0 0 0 0 0 -3.7330 0.7308 0.7713 O 0 0 0 0 0 -0.1856 -0.1637 2.8526 H 0 0 0 0 0 1.4873 -0.7612 2.7445 H 0 0 0 0 0 1.5849 2.9654 -1.7069 H 0 0 0 0 0 -0.5785 3.0142 -0.5317 H 0 0 0 0 0 2.8088 -0.3475 0.6835 H 0 0 0 0 0 -1.0400 1.3938 1.2649 H 0 0 0 0 0 3.9914 0.2412 -1.4001 H 0 0 0 0 0 3.5354 1.7077 -2.2993 H 0 0 0 0 0 5.9325 3.0923 -1.8526 H 0 0 0 0 0 6.0243 1.3116 -1.9659 H 0 0 0 0 0 7.7179 1.3089 -0.4253 H 0 0 0 0 0 7.6004 3.0898 -0.2837 H 0 0 0 0 0 1.4434 -1.7220 -0.0020 H 0 0 0 0 0 1.9629 -2.7302 1.3681 H 0 0 0 0 0 5.0758 0.2936 0.5836 H 0 0 0 0 0 4.2276 1.5822 1.4944 H 0 0 0 0 0 6.9028 1.3253 1.7692 H 0 0 0 0 0 6.1997 2.9670 1.5916 H 0 0 0 0 0 -5.6541 0.0329 0.4679 H 0 0 0 0 0 -4.8666 0.7541 -0.9562 H 0 0 0 0 0 -5.7711 2.2684 1.5351 H 0 0 0 0 0 -4.9836 2.9895 0.1110 H 0 0 0 0 0 -6.8590 2.2178 -1.3166 H 0 0 0 0 0 -7.6465 1.4966 0.1076 H 0 0 0 0 0 -6.9760 4.4533 -0.2493 H 0 0 0 0 0 -8.5957 3.7309 -0.3987 H 0 0 0 0 0 -7.7635 3.7321 1.1738 H 0 0 0 0 0 -1.1108 -4.4398 -0.7870 H 0 0 0 0 0 -2.6586 -3.9978 -1.8925 H 0 0 0 0 0 -4.0150 -3.0368 -2.1407 H 0 0 0 0 0 30 21 1 0 0 0 30 19 1 0 0 0 21 22 1 0 0 0 9 7 2 0 0 0 9 11 1 0 0 0 13 14 1 0 0 0 13 29 1 0 0 0 7 8 1 0 0 0 14 17 1 0 0 0 29 12 1 0 0 0 29 16 1 0 0 0 19 27 2 0 0 0 19 26 1 0 0 0 27 20 1 0 0 0 23 22 1 0 0 0 23 24 1 0 0 0 17 16 1 0 0 0 11 6 2 0 0 0 8 12 1 0 0 0 8 10 2 0 0 0 28 20 1 0 0 0 26 2 2 0 0 0 20 4 2 0 0 0 6 10 1 0 0 0 6 5 1 0 0 0 2 4 1 0 0 0 2 1 1 0 0 0 4 25 1 0 0 0 5 1 1 0 0 0 1 15 1 0 0 0 25 18 1 0 0 0 18 15 1 0 0 0 18 3 2 0 0 0 5 31 1 0 0 0 5 32 1 0 0 0 7 33 1 0 0 0 9 34 1 0 0 0 10 35 1 0 0 0 11 36 1 0 0 0 12 37 1 0 0 0 12 38 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 16 46 1 0 0 0 17 47 1 0 0 0 17 48 1 0 0 0 21 49 1 0 0 0 21 50 1 0 0 0 22 51 1 0 0 0 22 52 1 0 0 0 23 53 1 0 0 0 23 54 1 0 0 0 24 55 1 0 0 0 24 56 1 0 0 0 24 57 1 0 0 0 25 58 1 0 0 0 28 59 1 0 0 0 28 60 1 0 0 0 M END $$$$