9JJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 102109 0 0 0 0 0 0 0 0999 V2000 -5.4881 2.7356 1.6973 P 0 0 0 0 0 -5.4742 4.2910 1.2805 O 0 0 0 0 0 -6.0541 2.5948 3.0570 O 0 0 0 0 0 -6.3910 1.9087 0.6516 O 0 0 0 0 0 -7.7986 2.1093 0.5095 C 0 0 0 0 0 -8.3428 1.1654 -0.5651 C 0 0 0 0 0 -8.3033 -0.2017 -0.0998 O 0 0 0 0 0 -9.8379 1.4510 -0.8244 C 0 0 0 0 0 -9.9978 2.2751 -1.9813 O 0 0 0 0 0 -10.4513 0.0539 -1.0667 C 0 0 0 0 0 -11.0103 -0.0282 -2.3793 O 0 0 0 0 0 -9.2526 -0.9117 -0.9250 C 0 0 0 0 0 -9.6715 -2.1519 -0.2674 N 0 0 0 0 0 -9.6330 -2.4087 1.0713 C 0 0 0 0 0 -10.0811 -3.6078 1.3074 N 0 0 0 0 0 -10.4340 -4.1947 0.1387 C 0 0 0 0 0 -10.9683 -5.4449 -0.2170 C 0 0 0 0 0 -11.2384 -6.3999 0.7475 N 0 0 0 0 0 -11.2064 -5.6888 -1.5018 N 0 0 0 0 0 -10.9518 -4.7846 -2.4285 C 0 0 0 0 0 -10.4524 -3.6001 -2.1425 N 0 0 0 0 0 -10.1811 -3.2664 -0.8852 C 0 0 0 0 0 -3.9841 2.1617 1.6788 O 0 0 0 0 0 -2.7466 2.2363 2.7058 P 0 0 0 0 0 -2.9525 1.1468 3.8738 O 0 0 0 0 0 -2.6792 3.5898 3.3000 O 0 0 0 0 0 -1.3766 1.9261 1.9195 O 0 0 0 0 0 -0.0895 2.0179 2.5325 C 0 0 0 0 0 0.9902 1.6591 1.5086 C 0 0 0 0 0 1.0887 2.6898 0.5008 O 0 0 0 0 0 2.3801 1.6299 2.1810 C 0 0 0 0 0 2.7527 0.2876 2.5032 O 0 0 0 0 0 3.3281 2.2112 1.1082 C 0 0 0 0 0 4.3145 1.2471 0.7355 O 0 0 0 0 0 2.3985 2.5236 -0.0854 C 0 0 0 0 0 2.8200 3.7592 -0.7505 N 0 3 0 0 0 3.4761 3.6807 -1.8889 C 0 0 0 0 0 3.8916 4.8379 -2.5491 C 0 0 0 0 0 4.6290 4.7496 -3.8284 C 0 0 0 0 0 4.8771 3.6629 -4.3122 O 0 0 0 0 0 5.0251 5.8749 -4.4560 N 0 0 0 0 0 3.5986 6.0830 -1.9807 C 0 0 0 0 0 2.9065 6.1112 -0.7831 C 0 0 0 0 0 2.5251 4.9190 -0.1940 C 0 0 0 0 0 5.5250 1.4248 1.3456 B 0 0 0 0 0 5.3710 1.4207 2.7138 O 0 0 0 0 0 6.5831 0.8614 3.2481 C 0 0 0 0 0 7.1092 -0.0978 2.2068 C 0 0 0 0 0 6.4723 0.2298 1.0176 C 0 0 0 0 0 6.7479 -0.4733 -0.1324 C 0 0 0 0 0 7.6644 -1.5157 -0.1004 C 0 0 0 0 0 8.2993 -1.8432 1.0899 C 0 0 0 0 0 8.0194 -1.1309 2.2419 C 0 0 0 0 0 7.9406 -2.2154 -1.2320 O 0 0 0 0 0 8.8886 -3.1864 -1.1669 C 0 0 0 0 0 8.5738 -4.4294 -0.6338 C 0 0 0 0 0 9.5388 -5.4156 -0.5693 C 0 0 0 0 0 10.8173 -5.1652 -1.0334 C 0 0 0 0 0 11.1327 -3.9285 -1.5640 C 0 0 0 0 0 10.1706 -2.9407 -1.6375 C 0 0 0 0 0 11.8677 -6.2433 -0.9617 C 0 0 0 0 0 11.6099 -7.0731 0.1346 F 0 0 0 0 0 11.8404 -7.0013 -2.1367 F 0 0 0 0 0 13.1291 -5.6557 -0.8140 F 0 0 0 0 0 6.0919 2.6003 0.9376 O 0 0 0 0 0 -5.1149 4.4588 0.3978 H 0 0 0 0 0 -8.2922 1.9024 1.4582 H 0 0 0 0 0 -7.9911 3.1420 0.2170 H 0 0 0 0 0 -7.7699 1.2710 -1.4863 H 0 0 0 0 0 -10.2932 1.9239 0.0454 H 0 0 0 0 0 -10.9172 2.4855 -2.1912 H 0 0 0 0 0 -11.2099 -0.1668 -0.3156 H 0 0 0 0 0 -11.7281 0.6000 -2.5402 H 0 0 0 0 0 -8.8210 -1.1257 -1.9022 H 0 0 0 0 0 -9.2821 -1.7186 1.8247 H 0 0 0 0 0 -11.0600 -6.2098 1.6818 H 0 0 0 0 0 -11.6068 -7.2595 0.4891 H 0 0 0 0 0 -11.1617 -5.0240 -3.4613 H 0 0 0 0 0 -3.0059 0.2352 3.5570 H 0 0 0 0 0 0.0720 3.0354 2.8893 H 0 0 0 0 0 -0.0367 1.3252 3.3729 H 0 0 0 0 0 0.7697 0.6962 1.0484 H 0 0 0 0 0 2.3862 2.2539 3.0738 H 0 0 0 0 0 2.1547 -0.1466 3.1275 H 0 0 0 0 0 3.8045 3.1214 1.4729 H 0 0 0 0 0 2.3955 1.6953 -0.7932 H 0 0 0 0 0 3.6952 2.7135 -2.3150 H 0 0 0 0 0 4.8267 6.7417 -4.0697 H 0 0 0 0 0 5.5081 5.8171 -5.2953 H 0 0 0 0 0 3.9053 6.9989 -2.4643 H 0 0 0 0 0 2.6627 7.0532 -0.3147 H 0 0 0 0 0 1.9847 4.9378 0.7411 H 0 0 0 0 0 7.3111 1.6515 3.4307 H 0 0 0 0 0 6.3715 0.3266 4.1749 H 0 0 0 0 0 6.2519 -0.2173 -1.0575 H 0 0 0 0 0 9.0122 -2.6531 1.1167 H 0 0 0 0 0 8.5125 -1.3858 3.1681 H 0 0 0 0 0 7.5762 -4.6250 -0.2710 H 0 0 0 0 0 9.2954 -6.3818 -0.1547 H 0 0 0 0 0 12.1322 -3.7351 -1.9261 H 0 0 0 0 0 10.4170 -1.9747 -2.0521 H 0 0 0 0 0 5.6166 3.3893 1.2322 H 0 0 0 0 0 19 20 2 0 0 0 19 17 1 0 0 0 20 21 1 0 0 0 18 17 1 0 0 0 17 16 2 0 0 0 21 22 2 0 0 0 16 22 1 0 0 0 16 15 1 0 0 0 22 13 1 0 0 0 32 31 1 0 0 0 15 14 2 0 0 0 13 14 1 0 0 0 13 12 1 0 0 0 30 29 1 0 0 0 30 35 1 0 0 0 29 31 1 0 0 0 29 28 1 0 0 0 12 7 1 0 0 0 12 10 1 0 0 0 31 33 1 0 0 0 35 36 1 0 0 0 35 33 1 0 0 0 7 6 1 0 0 0 44 43 2 0 0 0 44 36 1 0 0 0 11 10 1 0 0 0 28 27 1 0 0 0 43 42 1 0 0 0 36 37 2 0 0 0 33 34 1 0 0 0 10 8 1 0 0 0 6 8 1 0 0 0 6 5 1 0 0 0 34 45 1 0 0 0 27 24 1 0 0 0 8 9 1 0 0 0 46 47 1 0 0 0 46 45 1 0 0 0 47 48 1 0 0 0 37 38 1 0 0 0 42 38 2 0 0 0 5 4 1 0 0 0 45 49 1 0 0 0 45 65 1 0 0 0 48 49 2 0 0 0 48 53 1 0 0 0 49 50 1 0 0 0 53 52 2 0 0 0 64 61 1 0 0 0 38 39 1 0 0 0 50 51 2 0 0 0 4 1 1 0 0 0 52 51 1 0 0 0 51 54 1 0 0 0 26 24 2 0 0 0 24 25 1 0 0 0 24 23 1 0 0 0 60 59 2 0 0 0 60 55 1 0 0 0 59 58 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 58 61 1 0 0 0 58 57 2 0 0 0 61 63 1 0 0 0 61 62 1 0 0 0 56 57 1 0 0 0 23 1 1 0 0 0 39 40 2 0 0 0 39 41 1 0 0 0 1 3 2 0 0 0 1 2 1 0 0 0 2 66 1 0 0 0 5 67 1 0 0 0 5 68 1 0 0 0 6 69 1 0 0 0 8 70 1 0 0 0 9 71 1 0 0 0 10 72 1 0 0 0 11 73 1 0 0 0 12 74 1 0 0 0 14 75 1 0 0 0 18 76 1 0 0 0 18 77 1 0 0 0 20 78 1 0 0 0 25 79 1 0 0 0 28 80 1 0 0 0 28 81 1 0 0 0 29 82 1 0 0 0 31 83 1 0 0 0 32 84 1 0 0 0 33 85 1 0 0 0 35 86 1 0 0 0 37 87 1 0 0 0 41 88 1 0 0 0 41 89 1 0 0 0 42 90 1 0 0 0 43 91 1 0 0 0 44 92 1 0 0 0 47 93 1 0 0 0 47 94 1 0 0 0 50 95 1 0 0 0 52 96 1 0 0 0 53 97 1 0 0 0 56 98 1 0 0 0 57 99 1 0 0 0 59100 1 0 0 0 60101 1 0 0 0 65102 1 0 0 0 M END $$$$