JR3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 64 71 0 0 0 0 0 0 0 0999 V2000 9.7121 7.1892 11.0866 O 0 0 0 0 0 20.1799 9.1753 13.1621 C 0 0 0 0 0 21.6519 9.0685 13.4108 C 0 0 0 0 0 22.3921 9.6122 14.6349 C 0 0 0 0 0 22.2815 8.3328 12.2637 C 0 0 0 0 0 23.7705 8.0081 12.0955 C 0 0 0 0 0 21.1810 7.9960 11.2885 C 0 0 0 0 0 21.4050 7.2642 9.9945 C 0 0 0 0 0 19.1831 9.8535 14.0885 C 0 0 0 0 0 19.8766 8.5077 11.8397 C 0 0 0 0 0 18.4876 8.4185 11.2184 C 0 0 0 0 0 20.7640 7.1506 13.1612 IR 0 0 0 0 0 20.8220 7.1506 15.6145 CL 0 0 0 0 0 21.2445 5.2457 13.1913 N 0 0 0 0 0 22.3374 4.7469 12.7407 C 0 0 0 0 0 22.6615 3.4239 12.7903 C 0 0 0 0 0 20.3507 4.2769 13.7713 C 0 0 0 0 0 22.2461 1.1809 13.3359 O 0 0 0 0 0 21.8616 2.4632 13.3079 C 0 0 0 0 0 20.6796 2.8091 13.8116 C 0 0 0 0 0 9.9226 6.2724 12.0880 S 0 0 0 0 0 15.5691 7.3038 13.2776 N 0 0 0 0 0 11.5494 6.4309 12.4148 C 0 0 0 0 0 9.7501 4.8537 11.7300 O 0 0 0 0 0 12.5768 5.3969 12.1383 C 0 0 0 0 0 13.9025 5.6937 12.4406 C 0 0 0 0 0 11.9886 7.7281 12.9500 C 0 0 0 0 0 13.3270 7.8644 13.1939 C 0 0 0 0 0 17.7092 6.8398 14.2499 C 0 0 0 0 0 16.5914 6.3635 13.6250 C 0 0 0 0 0 16.2159 5.1067 13.8849 O 0 0 0 0 0 9.0328 6.6674 13.4177 N 0 0 0 0 0 14.2609 6.9095 12.9834 C 0 0 0 0 0 19.0460 6.3527 14.0306 N 0 0 0 0 0 19.1261 4.9271 14.2454 C 0 0 0 0 0 18.3074 4.1793 14.7643 O 0 0 0 0 0 23.4650 9.3866 14.5452 H 0 0 0 0 0 22.2502 10.7011 14.6952 H 0 0 0 0 0 21.9925 9.1393 15.5443 H 0 0 0 0 0 23.9227 7.4606 11.1533 H 0 0 0 0 0 24.3488 8.9434 12.0734 H 0 0 0 0 0 24.1077 7.3877 12.9390 H 0 0 0 0 0 20.4455 7.1448 9.4689 H 0 0 0 0 0 22.0989 7.8384 9.3642 H 0 0 0 0 0 21.8340 6.2734 10.2032 H 0 0 0 0 0 18.1732 9.7825 13.6571 H 0 0 0 0 0 19.1984 9.3570 15.0700 H 0 0 0 0 0 19.4561 10.9127 14.2095 H 0 0 0 0 0 18.5480 7.8841 10.2589 H 0 0 0 0 0 17.8156 7.8750 11.8985 H 0 0 0 0 0 18.0967 9.4322 11.0489 H 0 0 0 0 0 23.0506 5.4223 12.2910 H 0 0 0 0 0 23.6191 3.1231 12.3909 H 0 0 0 0 0 21.5624 0.6534 13.7319 H 0 0 0 0 0 19.9974 2.0810 14.2244 H 0 0 0 0 0 15.7988 8.2767 13.2444 H 0 0 0 0 0 12.3034 4.4416 11.7147 H 0 0 0 0 0 14.6666 4.9564 12.2458 H 0 0 0 0 0 11.2913 8.5304 13.1400 H 0 0 0 0 0 13.6663 8.8114 13.5868 H 0 0 0 0 0 17.7448 7.9123 14.0112 H 0 0 0 0 0 17.5220 6.7098 15.3258 H 0 0 0 0 0 9.1933 5.9938 14.1395 H 0 0 0 0 0 9.3023 7.5743 13.7425 H 0 0 0 0 0 1 21 2 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 2 10 1 0 0 0 2 12 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 12 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 12 1 0 0 0 7 8 1 0 0 0 7 10 1 0 0 0 7 12 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 12 14 1 0 0 0 12 34 1 0 0 0 14 15 2 0 0 0 14 17 1 0 0 0 15 16 1 0 0 0 16 19 2 0 0 0 17 20 2 0 0 0 17 35 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 21 23 1 0 0 0 21 24 2 0 0 0 21 32 1 0 0 0 22 30 1 0 0 0 22 33 1 0 0 0 23 25 2 0 0 0 23 27 1 0 0 0 25 26 1 0 0 0 26 33 2 0 0 0 27 28 2 0 0 0 28 33 1 0 0 0 29 30 1 0 0 0 29 34 1 0 0 0 30 31 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 12 13 1 0 0 0 4 37 1 0 0 0 4 38 1 0 0 0 4 39 1 0 0 0 6 40 1 0 0 0 6 41 1 0 0 0 6 42 1 0 0 0 8 43 1 0 0 0 8 44 1 0 0 0 8 45 1 0 0 0 9 46 1 0 0 0 9 47 1 0 0 0 9 48 1 0 0 0 11 49 1 0 0 0 11 50 1 0 0 0 11 51 1 0 0 0 15 52 1 0 0 0 16 53 1 0 0 0 18 54 1 0 0 0 20 55 1 0 0 0 22 56 1 0 0 0 25 57 1 0 0 0 26 58 1 0 0 0 27 59 1 0 0 0 28 60 1 0 0 0 29 61 1 0 0 0 29 62 1 0 0 0 32 63 1 0 0 0 32 64 1 0 0 0 M END $$$$