FCI Converted by convert_cif2sdf.py 2024/03/29 11:09:15 95100 0 0 0 0 0 0 0 0999 V2000 80.7879 69.1364 54.7774 C 0 0 0 0 0 75.8164 72.8959 56.3659 C 0 0 0 0 0 86.6347 70.5070 56.8046 C 0 0 0 0 0 82.4576 71.6454 52.8540 C 0 0 0 0 0 77.4375 70.6993 55.2842 C 0 0 0 0 0 86.0097 75.3660 55.3526 C 0 0 0 0 0 80.6102 73.9043 53.9800 C 0 0 0 0 0 77.7835 75.4192 55.8740 C 0 0 0 0 0 83.5046 73.5155 58.7241 C 0 0 0 0 0 82.1047 69.6475 54.2049 C 0 0 0 0 0 75.2327 71.5606 55.9032 C 0 0 0 0 0 82.5960 73.1644 52.7963 C 0 0 0 0 0 78.4264 69.5578 55.3159 C 0 0 0 0 0 79.9515 74.5979 55.1730 C 0 0 0 0 0 76.2688 75.2771 55.9174 C 0 0 0 0 0 83.3238 68.8744 54.7019 C 0 0 0 0 0 84.0626 73.5776 52.5800 C 0 0 0 0 0 80.6331 74.2163 56.4930 C 0 0 0 0 0 84.5956 69.2135 53.9476 C 0 0 0 0 0 84.2860 75.0674 52.3524 C 0 0 0 0 0 80.4798 72.7534 56.8595 C 0 0 0 0 0 85.7935 69.0986 54.8489 C 0 0 0 0 0 84.1724 75.8727 53.6444 C 0 0 0 0 0 81.2965 72.3928 58.0898 C 0 0 0 0 0 86.9337 76.3606 54.7761 C 0 0 0 0 0 87.2941 69.3696 57.4593 C 0 0 0 0 0 82.9687 74.0981 59.9747 C 0 0 0 0 0 74.5670 71.7166 54.5328 C 0 0 0 0 0 85.1479 72.9788 56.4975 FE 0 0 0 0 0 82.3393 71.0753 54.0474 N 0 0 0 0 0 76.2507 70.5200 55.8560 N 0 0 0 0 0 81.9381 73.8545 53.8973 N 0 0 0 0 0 78.5057 74.4998 55.2476 N 0 0 0 0 0 85.9824 70.3185 55.6475 N 0 0 0 0 0 84.7957 75.1986 54.8057 N 0 0 0 0 0 79.7372 69.9508 54.8114 N 0 0 0 0 0 82.7086 72.7643 57.9395 N 0 0 0 0 0 75.7701 73.9508 55.5581 N 0 0 0 0 0 80.6826 67.9655 55.2033 O 0 0 0 0 0 76.3573 72.9992 57.4863 O 0 0 0 0 0 86.6770 71.6430 57.3168 O 0 0 0 0 0 82.4495 70.9487 51.8187 O 0 0 0 0 0 77.7169 71.7781 54.7219 O 0 0 0 0 0 86.3432 74.6833 56.3461 O 0 0 0 0 0 79.9062 73.3978 53.0798 O 0 0 0 0 0 84.6958 73.7101 58.3991 O 0 0 0 0 0 85.3854 71.4184 55.0884 O 0 0 0 0 0 83.9815 74.2621 55.3999 O 0 0 0 0 0 83.2669 72.2481 56.8109 O 0 0 0 0 0 78.3592 76.4045 56.3893 O 0 0 0 0 0 73.3139 71.0463 54.4947 O 0 0 0 0 0 82.0379 69.3073 53.1611 H 0 0 0 0 0 74.4561 71.2636 56.6235 H 0 0 0 0 0 82.0690 73.4720 51.8815 H 0 0 0 0 0 78.5353 69.2122 56.3546 H 0 0 0 0 0 78.0400 68.7370 54.6949 H 0 0 0 0 0 80.1725 75.6666 55.0383 H 0 0 0 0 0 75.9319 75.5044 56.9395 H 0 0 0 0 0 75.8353 76.0069 55.2177 H 0 0 0 0 0 83.4760 69.1081 55.7657 H 0 0 0 0 0 83.1257 67.7982 54.5870 H 0 0 0 0 0 84.6353 73.2786 53.4702 H 0 0 0 0 0 84.4430 73.0372 51.7010 H 0 0 0 0 0 81.7063 74.4415 56.4075 H 0 0 0 0 0 80.1947 74.8234 57.2981 H 0 0 0 0 0 84.7110 68.5188 53.1029 H 0 0 0 0 0 84.5269 70.2440 53.5680 H 0 0 0 0 0 85.2911 75.2144 51.9305 H 0 0 0 0 0 83.5328 75.4336 51.6392 H 0 0 0 0 0 79.4186 72.5464 57.0632 H 0 0 0 0 0 80.8179 72.1369 56.0135 H 0 0 0 0 0 85.6507 68.2444 55.5278 H 0 0 0 0 0 86.6903 68.9314 54.2336 H 0 0 0 0 0 84.6675 76.8434 53.4966 H 0 0 0 0 0 83.1068 76.0344 53.8637 H 0 0 0 0 0 80.8803 72.9215 58.9601 H 0 0 0 0 0 81.2308 71.3070 58.2541 H 0 0 0 0 0 87.8724 76.3656 55.3498 H 0 0 0 0 0 87.1454 76.1000 53.7286 H 0 0 0 0 0 86.4715 77.3581 54.8198 H 0 0 0 0 0 87.7740 69.7088 58.3892 H 0 0 0 0 0 86.5460 68.5975 57.6925 H 0 0 0 0 0 88.0558 68.9499 56.7858 H 0 0 0 0 0 83.7605 74.6678 60.4833 H 0 0 0 0 0 82.1307 74.7689 59.7363 H 0 0 0 0 0 82.6164 73.2908 60.6340 H 0 0 0 0 0 74.4094 72.7859 54.3296 H 0 0 0 0 0 75.2261 71.2905 53.7624 H 0 0 0 0 0 82.4136 71.6463 54.8652 H 0 0 0 0 0 76.0484 69.6330 56.2714 H 0 0 0 0 0 82.4918 74.2977 54.6024 H 0 0 0 0 0 78.0444 73.7232 54.8180 H 0 0 0 0 0 79.8522 70.8848 54.4726 H 0 0 0 0 0 75.3700 73.8300 54.6497 H 0 0 0 0 0 72.9207 71.1566 53.6369 H 0 0 0 0 0 1 10 1 0 0 0 1 36 1 0 0 0 1 39 2 0 0 0 2 11 1 0 0 0 2 38 1 0 0 0 2 40 2 0 0 0 3 26 1 0 0 0 3 34 1 0 0 0 3 41 2 0 0 0 4 12 1 0 0 0 4 30 1 0 0 0 4 42 2 0 0 0 5 13 1 0 0 0 5 31 1 0 0 0 5 43 2 0 0 0 6 25 1 0 0 0 6 35 1 0 0 0 6 44 2 0 0 0 7 14 1 0 0 0 7 32 1 0 0 0 7 45 2 0 0 0 8 15 1 0 0 0 8 33 1 0 0 0 8 50 2 0 0 0 9 27 1 0 0 0 9 37 1 0 0 0 9 46 2 0 0 0 10 16 1 0 0 0 10 30 1 0 0 0 10 52 1 0 0 0 11 28 1 0 0 0 11 31 1 0 0 0 11 53 1 0 0 0 12 17 1 0 0 0 12 32 1 0 0 0 12 54 1 0 0 0 13 36 1 0 0 0 13 55 1 0 0 0 13 56 1 0 0 0 14 18 1 0 0 0 14 33 1 0 0 0 14 57 1 0 0 0 15 38 1 0 0 0 15 58 1 0 0 0 15 59 1 0 0 0 16 19 1 0 0 0 16 60 1 0 0 0 16 61 1 0 0 0 17 20 1 0 0 0 17 62 1 0 0 0 17 63 1 0 0 0 18 21 1 0 0 0 18 64 1 0 0 0 18 65 1 0 0 0 19 22 1 0 0 0 19 66 1 0 0 0 19 67 1 0 0 0 20 23 1 0 0 0 20 68 1 0 0 0 20 69 1 0 0 0 21 24 1 0 0 0 21 70 1 0 0 0 21 71 1 0 0 0 22 34 1 0 0 0 22 72 1 0 0 0 22 73 1 0 0 0 23 35 1 0 0 0 23 74 1 0 0 0 23 75 1 0 0 0 24 37 1 0 0 0 24 76 1 0 0 0 24 77 1 0 0 0 25 78 1 0 0 0 25 79 1 0 0 0 25 80 1 0 0 0 26 81 1 0 0 0 26 82 1 0 0 0 26 83 1 0 0 0 27 84 1 0 0 0 27 85 1 0 0 0 27 86 1 0 0 0 28 51 1 0 0 0 28 87 1 0 0 0 28 88 1 0 0 0 29 41 1 0 0 0 29 44 1 0 0 0 29 46 1 0 0 0 29 47 1 0 0 0 29 48 1 0 0 0 29 49 1 0 0 0 30 89 1 0 0 0 31 90 1 0 0 0 32 91 1 0 0 0 33 92 1 0 0 0 34 47 1 0 0 0 35 48 1 0 0 0 36 93 1 0 0 0 37 49 1 0 0 0 38 94 1 0 0 0 51 95 1 0 0 0 M END $$$$