J42 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 189191 0 0 0 0 0 0 0 0999 V2000 -13.5083 -5.7438 -1.0791 O 0 0 0 0 0 -13.5992 -4.9479 -0.1690 C 0 0 0 0 0 -14.4865 -5.1579 0.8238 N 0 0 0 0 0 -15.3408 -6.3478 0.8032 C 0 0 0 0 0 -16.2487 -6.3456 2.0345 C 0 0 0 0 0 -17.1449 -5.2347 1.9633 O 0 0 0 0 0 -18.0264 -5.0857 2.9882 C 0 0 0 0 0 -18.9294 -4.0250 2.9839 C 0 0 0 0 0 -18.9326 -3.1089 1.9224 N 0 0 0 0 0 -19.4022 -1.8598 2.1109 C 0 0 0 0 0 -19.7276 -1.4948 3.2243 O 0 0 0 0 0 -19.5106 -1.0154 1.0664 N 0 0 0 0 0 -20.0213 0.3419 1.2725 C 0 0 0 0 0 -20.0434 1.0866 -0.0640 C 0 0 0 0 0 -20.5772 2.5045 0.1508 C 0 0 0 0 0 -20.5983 3.2493 -1.1857 C 0 0 0 0 0 -21.1322 4.6670 -0.9719 C 0 0 0 0 0 -22.5311 4.6026 -0.5409 N 0 0 0 0 0 -23.0619 5.6120 0.1755 C 0 0 0 0 0 -22.3814 6.5766 0.4647 O 0 0 0 0 0 -24.3495 5.5527 0.5718 N 0 0 0 0 0 -24.9272 6.6513 1.3513 C 0 0 0 0 0 -24.6185 6.4470 2.8116 C 0 0 0 0 0 -23.9818 5.4840 3.1663 O 0 0 0 0 0 -25.0515 7.3366 3.7192 O 0 0 0 0 0 -26.4437 6.6764 1.1484 C 0 0 0 0 0 -26.7571 7.0072 -0.3120 C 0 0 0 0 0 -28.2515 7.0334 -0.5113 C 0 0 0 0 0 -28.9886 6.8101 0.4199 O 0 0 0 0 0 -28.7626 7.3033 -1.7222 O 0 0 0 0 0 -21.0390 5.4393 -2.2617 C 0 0 0 0 0 -22.0384 5.8897 -2.7700 O 0 0 0 0 0 -19.8453 5.6268 -2.8476 O 0 0 0 0 0 -19.8265 -3.8778 4.0316 C 0 0 0 0 0 -19.8228 -4.7822 5.0771 C 0 0 0 0 0 -18.0317 -5.9920 4.0361 C 0 0 0 0 0 -18.9250 -5.8350 5.0812 C 0 0 0 0 0 -18.9249 -7.0681 6.5150 BR 0 0 0 0 0 -12.7154 -3.7271 -0.1436 C 0 0 0 0 0 -11.8034 -3.7319 -1.3725 C 0 0 0 0 0 -10.9664 -2.5752 -1.3484 O 0 0 0 0 0 -10.0705 -2.4833 -2.4589 C 0 0 0 0 0 -9.2281 -1.2123 -2.3297 C 0 0 0 0 0 -8.3915 -1.3104 -1.1761 O 0 0 0 0 0 -7.5580 -0.1690 -0.9631 C 0 0 0 0 0 -6.7102 -0.3841 0.2923 C 0 0 0 0 0 -5.8102 -1.4738 0.0795 O 0 0 0 0 0 -4.9683 -1.7589 1.1973 C 0 0 0 0 0 -4.0525 -2.9364 0.8586 C 0 0 0 0 0 -3.1647 -2.5613 -0.1973 O 0 0 0 0 0 -2.2619 -3.5962 -0.5923 C 0 0 0 0 0 -1.3652 -3.0850 -1.7229 C 0 0 0 0 0 -0.5383 -2.0279 -1.2338 O 0 0 0 0 0 0.3420 -1.4780 -2.2155 C 0 0 0 0 0 1.1749 -0.3594 -1.5844 C 0 0 0 0 0 2.0267 -0.9105 -0.5787 O 0 0 0 0 0 2.8523 0.0558 0.0770 C 0 0 0 0 0 3.7180 -0.6426 1.1285 C 0 0 0 0 0 4.6246 -1.5367 0.4808 O 0 0 0 0 0 5.4839 -2.2440 1.3778 C 0 0 0 0 0 6.4056 -3.1670 0.5796 C 0 0 0 0 0 7.2766 -2.3811 -0.2374 O 0 0 0 0 0 8.1842 -3.1502 -1.0279 C 0 0 0 0 0 9.0617 -2.2101 -1.8577 C 0 0 0 0 0 9.8850 -1.4338 -0.9849 O 0 0 0 0 0 10.7475 -0.5180 -1.6617 C 0 0 0 0 0 11.5784 0.2548 -0.6354 C 0 0 0 0 0 12.4484 -0.6482 0.0510 O 0 0 0 0 0 13.2718 -0.0238 1.0374 C 0 0 0 0 0 14.1567 -1.0795 1.7047 C 0 0 0 0 0 15.0635 -1.6182 0.7413 O 0 0 0 0 0 15.9408 -2.6183 1.2639 C 0 0 0 0 0 16.8613 -3.1212 0.1497 C 0 0 0 0 0 17.7138 -2.0585 -0.2802 O 0 0 0 0 0 18.6186 -2.4246 -1.3230 C 0 0 0 0 0 19.4779 -1.2157 -1.7017 C 0 0 0 0 0 20.3252 -0.8443 -0.5663 N 0 0 0 0 0 21.1715 0.1998 -0.6699 C 0 0 0 0 0 21.2299 0.8321 -1.7037 O 0 0 0 0 0 22.0431 0.5820 0.4979 C 0 0 0 0 0 22.9013 1.7909 0.1192 C 0 0 0 0 0 23.7871 2.1784 1.3052 C 0 0 0 0 0 24.6454 3.3874 0.9276 C 0 0 0 0 0 25.5311 3.7758 2.1125 C 0 0 0 0 0 26.4978 4.9117 1.7239 C 0 0 0 0 0 26.7146 5.9106 2.8677 C 0 0 0 0 0 25.9142 5.5398 4.1314 C 0 0 0 0 0 24.5288 4.5381 3.4533 S 0 0 0 0 0 25.8906 5.7200 0.6553 N 0 0 0 0 0 25.7647 6.9841 1.0811 C 0 0 0 0 0 25.2903 7.8707 0.3972 O 0 0 0 0 0 26.2094 7.1827 2.3297 N 0 0 0 0 0 -14.5590 -4.5214 1.5527 H 0 0 0 0 0 -15.9522 -6.3396 -0.0987 H 0 0 0 0 0 -14.7184 -7.2422 0.8127 H 0 0 0 0 0 -16.8207 -7.2722 2.0659 H 0 0 0 0 0 -15.6403 -6.2629 2.9350 H 0 0 0 0 0 -18.5963 -3.3737 1.0520 H 0 0 0 0 0 -19.2510 -1.3071 0.1791 H 0 0 0 0 0 -21.0319 0.2926 1.6767 H 0 0 0 0 0 -19.3747 0.8714 1.9727 H 0 0 0 0 0 -19.0328 1.1358 -0.4692 H 0 0 0 0 0 -20.6900 0.5571 -0.7643 H 0 0 0 0 0 -21.5878 2.4552 0.5550 H 0 0 0 0 0 -19.9306 3.0339 0.8501 H 0 0 0 0 0 -19.5877 3.2984 -1.5909 H 0 0 0 0 0 -21.2449 2.7198 -1.8860 H 0 0 0 0 0 -20.5388 5.1664 -0.2053 H 0 0 0 0 0 -23.0737 3.8321 -0.7710 H 0 0 0 0 0 -24.8922 4.7833 0.3414 H 0 0 0 0 0 -24.4997 7.5967 1.0179 H 0 0 0 0 0 -24.8293 7.1628 4.6449 H 0 0 0 0 0 -26.8599 5.7006 1.3985 H 0 0 0 0 0 -26.8833 7.4357 1.7955 H 0 0 0 0 0 -26.3409 7.9831 -0.5610 H 0 0 0 0 0 -26.3175 6.2488 -0.9592 H 0 0 0 0 0 -29.7264 7.3090 -1.8015 H 0 0 0 0 0 -19.8357 6.1283 -3.6732 H 0 0 0 0 0 -20.5272 -3.0558 4.0308 H 0 0 0 0 0 -20.5210 -4.6667 5.8922 H 0 0 0 0 0 -17.3358 -6.8177 4.0396 H 0 0 0 0 0 -13.3350 -2.8298 -0.1546 H 0 0 0 0 0 -12.1070 -3.7371 0.7607 H 0 0 0 0 0 -11.1849 -4.6292 -1.3615 H 0 0 0 0 0 -12.4129 -3.7220 -2.2768 H 0 0 0 0 0 -9.4159 -3.3539 -2.4699 H 0 0 0 0 0 -10.6438 -2.4467 -3.3852 H 0 0 0 0 0 -8.6091 -1.0955 -3.2188 H 0 0 0 0 0 -9.8861 -0.3487 -2.2294 H 0 0 0 0 0 -6.9040 -0.0305 -1.8237 H 0 0 0 0 0 -8.1809 0.7164 -0.8333 H 0 0 0 0 0 -6.1408 0.5210 0.5055 H 0 0 0 0 0 -7.3616 -0.6103 1.1367 H 0 0 0 0 0 -4.3629 -0.8822 1.4297 H 0 0 0 0 0 -5.5837 -2.0136 2.0600 H 0 0 0 0 0 -3.4728 -3.2111 1.7401 H 0 0 0 0 0 -4.6559 -3.7872 0.5409 H 0 0 0 0 0 -1.6454 -3.8841 0.2585 H 0 0 0 0 0 -2.8285 -4.4600 -0.9398 H 0 0 0 0 0 -0.7376 -3.9001 -2.0839 H 0 0 0 0 0 -1.9849 -2.7145 -2.5383 H 0 0 0 0 0 1.0057 -2.2585 -2.5875 H 0 0 0 0 0 -0.2426 -1.0729 -3.0420 H 0 0 0 0 0 1.7822 0.1191 -2.3524 H 0 0 0 0 0 0.5104 0.3780 -1.1344 H 0 0 0 0 0 3.4940 0.5426 -0.6573 H 0 0 0 0 0 2.2222 0.8016 0.5616 H 0 0 0 0 0 4.2806 0.1034 1.6886 H 0 0 0 0 0 3.0790 -1.2037 1.8100 H 0 0 0 0 0 6.0843 -1.5307 1.9427 H 0 0 0 0 0 4.8817 -2.8377 2.0651 H 0 0 0 0 0 6.9991 -3.7707 1.2659 H 0 0 0 0 0 5.8068 -3.8214 -0.0535 H 0 0 0 0 0 8.8141 -3.7533 -0.3746 H 0 0 0 0 0 7.6208 -3.8041 -1.6949 H 0 0 0 0 0 9.6923 -2.7971 -2.5260 H 0 0 0 0 0 8.4275 -1.5460 -2.4458 H 0 0 0 0 0 11.4135 -1.0700 -2.3259 H 0 0 0 0 0 10.1497 0.1810 -2.2458 H 0 0 0 0 0 12.1710 1.0138 -1.1446 H 0 0 0 0 0 10.9129 0.7345 0.0831 H 0 0 0 0 0 13.9001 0.7295 0.5632 H 0 0 0 0 0 12.6419 0.4501 1.7898 H 0 0 0 0 0 14.7206 -0.6201 2.5166 H 0 0 0 0 0 13.5321 -1.8785 2.1022 H 0 0 0 0 0 16.5412 -2.1910 2.0663 H 0 0 0 0 0 15.3527 -3.4494 1.6519 H 0 0 0 0 0 17.4693 -3.9447 0.5258 H 0 0 0 0 0 16.2605 -3.4674 -0.6901 H 0 0 0 0 0 19.2629 -3.2340 -0.9781 H 0 0 0 0 0 18.0540 -2.7557 -2.1941 H 0 0 0 0 0 20.1053 -1.4690 -2.5565 H 0 0 0 0 0 18.8305 -0.3776 -1.9621 H 0 0 0 0 0 20.2777 -1.3496 0.2605 H 0 0 0 0 0 21.4157 0.8353 1.3527 H 0 0 0 0 0 22.6905 -0.2561 0.7583 H 0 0 0 0 0 23.5288 1.5377 -0.7346 H 0 0 0 0 0 22.2549 2.6292 -0.1402 H 0 0 0 0 0 23.1597 2.4317 2.1600 H 0 0 0 0 0 24.4335 1.3412 1.5655 H 0 0 0 0 0 25.2728 3.1341 0.0728 H 0 0 0 0 0 23.9990 4.2256 0.6672 H 0 0 0 0 0 26.0809 2.9093 2.4821 H 0 0 0 0 0 27.4525 4.4990 1.3971 H 0 0 0 0 0 27.7763 5.9893 3.1034 H 0 0 0 0 0 26.5225 4.9449 4.8140 H 0 0 0 0 0 25.5373 6.4343 4.6272 H 0 0 0 0 0 25.6240 5.3907 -0.2169 H 0 0 0 0 0 26.1992 8.0297 2.8030 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 39 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 36 1 0 0 0 8 9 1 0 0 0 8 34 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 31 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 26 1 0 0 0 23 24 2 0 0 0 23 25 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 31 32 2 0 0 0 31 33 1 0 0 0 34 35 2 0 0 0 35 37 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 2 0 0 0 78 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 84 88 1 0 0 0 85 86 1 0 0 0 85 89 1 0 0 0 86 87 1 0 0 0 86 92 1 0 0 0 87 88 1 0 0 0 89 90 1 0 0 0 90 91 2 0 0 0 90 92 1 0 0 0 3 93 1 0 0 0 4 94 1 0 0 0 4 95 1 0 0 0 5 96 1 0 0 0 5 97 1 0 0 0 9 98 1 0 0 0 12 99 1 0 0 0 13100 1 0 0 0 13101 1 0 0 0 14102 1 0 0 0 14103 1 0 0 0 15104 1 0 0 0 15105 1 0 0 0 16106 1 0 0 0 16107 1 0 0 0 17108 1 0 0 0 18109 1 0 0 0 21110 1 0 0 0 22111 1 0 0 0 25112 1 0 0 0 26113 1 0 0 0 26114 1 0 0 0 27115 1 0 0 0 27116 1 0 0 0 30117 1 0 0 0 33118 1 0 0 0 34119 1 0 0 0 35120 1 0 0 0 36121 1 0 0 0 39122 1 0 0 0 39123 1 0 0 0 40124 1 0 0 0 40125 1 0 0 0 42126 1 0 0 0 42127 1 0 0 0 43128 1 0 0 0 43129 1 0 0 0 45130 1 0 0 0 45131 1 0 0 0 46132 1 0 0 0 46133 1 0 0 0 48134 1 0 0 0 48135 1 0 0 0 49136 1 0 0 0 49137 1 0 0 0 51138 1 0 0 0 51139 1 0 0 0 52140 1 0 0 0 52141 1 0 0 0 54142 1 0 0 0 54143 1 0 0 0 55144 1 0 0 0 55145 1 0 0 0 57146 1 0 0 0 57147 1 0 0 0 58148 1 0 0 0 58149 1 0 0 0 60150 1 0 0 0 60151 1 0 0 0 61152 1 0 0 0 61153 1 0 0 0 63154 1 0 0 0 63155 1 0 0 0 64156 1 0 0 0 64157 1 0 0 0 66158 1 0 0 0 66159 1 0 0 0 67160 1 0 0 0 67161 1 0 0 0 69162 1 0 0 0 69163 1 0 0 0 70164 1 0 0 0 70165 1 0 0 0 72166 1 0 0 0 72167 1 0 0 0 73168 1 0 0 0 73169 1 0 0 0 75170 1 0 0 0 75171 1 0 0 0 76172 1 0 0 0 76173 1 0 0 0 77174 1 0 0 0 80175 1 0 0 0 80176 1 0 0 0 81177 1 0 0 0 81178 1 0 0 0 82179 1 0 0 0 82180 1 0 0 0 83181 1 0 0 0 83182 1 0 0 0 84183 1 0 0 0 85184 1 0 0 0 86185 1 0 0 0 87186 1 0 0 0 87187 1 0 0 0 89188 1 0 0 0 92189 1 0 0 0 M END $$$$