C88 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 50 53 0 0 0 0 0 0 0 0999 V2000 -3.6676 -0.0025 -0.5011 C 0 0 0 0 0 -4.5291 -0.7113 -1.5489 C 0 0 0 0 0 -5.7563 -1.2124 -0.9167 N 0 0 0 0 0 -5.4506 -2.1950 0.1312 C 0 0 0 0 0 -4.6171 -1.5304 1.2284 C 0 0 0 0 0 -3.3211 -0.9859 0.6200 C 0 0 0 0 0 -2.5113 -0.2670 1.7003 C 0 0 0 0 0 -1.2199 0.1494 1.1478 N 0 0 0 0 0 -0.0514 -0.6193 1.1573 N 0 0 0 0 0 -0.9725 1.3439 0.5385 C 0 0 0 0 0 -1.7079 2.4205 0.2613 N 0 0 0 0 0 -1.1779 3.4542 -0.3552 C 0 0 0 0 0 0.0888 3.4884 -0.7307 N 0 0 0 0 0 0.9016 2.4632 -0.4983 C 0 0 0 0 0 2.2257 2.5050 -0.8922 N 0 0 0 0 0 0.3825 1.3350 0.1584 C 0 0 0 0 0 0.9232 0.0440 0.5832 C 0 0 0 0 0 2.3161 -0.4281 0.3965 C 0 0 0 0 0 3.3852 0.4244 0.6685 C 0 0 0 0 0 4.6803 -0.0178 0.4951 C 0 0 0 0 0 5.8363 0.9033 0.7895 C 0 0 0 0 0 4.9193 -1.3101 0.0496 C 0 0 0 0 0 6.1956 -1.7433 -0.1213 O 0 0 0 0 0 6.3696 -3.0848 -0.5822 C 0 0 0 0 0 3.8572 -2.1619 -0.2225 C 0 0 0 0 0 2.5598 -1.7274 -0.0456 C 0 0 0 0 0 -2.7493 0.3553 -0.9675 H 0 0 0 0 0 -4.2187 0.8422 -0.0876 H 0 0 0 0 0 -4.7894 -0.0095 -2.3412 H 0 0 0 0 0 -3.9717 -1.5477 -1.9719 H 0 0 0 0 0 -6.3842 -1.6009 -1.6042 H 0 0 0 0 0 -6.3806 -2.5705 0.5585 H 0 0 0 0 0 -4.8888 -3.0241 -0.3002 H 0 0 0 0 0 -5.1833 -0.7107 1.6693 H 0 0 0 0 0 -4.3772 -2.2637 1.9984 H 0 0 0 0 0 -2.7362 -1.8106 0.2125 H 0 0 0 0 0 -3.0608 0.6107 2.0418 H 0 0 0 0 0 -2.3472 -0.9412 2.5401 H 0 0 0 0 0 -1.8027 4.3094 -0.5633 H 0 0 0 0 0 2.6366 3.3533 -1.1201 H 0 0 0 0 0 2.7428 1.6865 -0.9416 H 0 0 0 0 0 3.1995 1.4303 1.0155 H 0 0 0 0 0 6.1318 0.7929 1.8323 H 0 0 0 0 0 6.6772 0.6483 0.1440 H 0 0 0 0 0 5.5351 1.9345 0.6042 H 0 0 0 0 0 7.4347 -3.3013 -0.6749 H 0 0 0 0 0 5.9189 -3.7748 0.1308 H 0 0 0 0 0 5.8892 -3.2002 -1.5537 H 0 0 0 0 0 4.0459 -3.1679 -0.5684 H 0 0 0 0 0 1.7347 -2.3904 -0.2566 H 0 0 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 3 2 1 0 0 0 2 1 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 11 12 2 0 0 0 11 10 1 0 0 0 12 13 1 0 0 0 8 10 1 0 0 0 8 9 1 0 0 0 10 16 2 0 0 0 13 14 2 0 0 0 26 25 2 0 0 0 26 18 1 0 0 0 9 17 2 0 0 0 16 14 1 0 0 0 16 17 1 0 0 0 14 15 1 0 0 0 17 18 1 0 0 0 25 22 1 0 0 0 18 19 2 0 0 0 24 23 1 0 0 0 22 23 1 0 0 0 22 20 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 4 33 1 0 0 0 5 34 1 0 0 0 5 35 1 0 0 0 6 36 1 0 0 0 7 37 1 0 0 0 7 38 1 0 0 0 12 39 1 0 0 0 15 40 1 0 0 0 15 41 1 0 0 0 19 42 1 0 0 0 21 43 1 0 0 0 21 44 1 0 0 0 21 45 1 0 0 0 24 46 1 0 0 0 24 47 1 0 0 0 24 48 1 0 0 0 25 49 1 0 0 0 26 50 1 0 0 0 M END $$$$