CDK Converted by convert_cif2sdf.py 2024/03/29 11:09:15 50 52 0 0 0 0 0 0 0 0999 V2000 4.6035 -2.1235 -0.6077 C 0 0 0 0 0 5.4631 -1.1389 0.1411 C 0 0 0 0 0 6.7715 -1.3812 0.3953 N 0 0 0 0 0 7.4136 -2.6202 -0.0502 C 0 0 0 0 0 7.4582 -0.4454 1.0679 C 0 0 0 0 0 8.6329 -0.4864 1.3861 O 0 0 0 0 0 6.3411 0.8243 1.3918 S 0 0 0 0 0 4.9753 0.0303 0.5885 C 0 0 0 0 0 3.5988 0.5417 0.4434 C 0 0 0 0 0 2.6715 -0.1778 -0.1904 N 0 0 0 0 0 3.2426 1.7881 0.9753 C 0 0 0 0 0 1.9414 2.2238 0.8154 C 0 0 0 0 0 1.0755 1.4581 0.1693 N 0 0 0 0 0 1.4363 0.2810 -0.3197 C 0 0 0 0 0 0.4976 -0.4909 -0.9839 N 0 0 0 0 0 -0.8376 -0.0793 -1.0324 C 0 0 0 0 0 -1.6119 -0.3560 -2.1519 C 0 0 0 0 0 -2.9305 0.0520 -2.1952 C 0 0 0 0 0 -1.3949 0.6015 0.0424 C 0 0 0 0 0 -2.7140 1.0071 -0.0077 C 0 0 0 0 0 -3.4803 0.7344 -1.1263 C 0 0 0 0 0 -5.1630 1.2540 -1.1867 S 0 0 0 0 0 -5.2794 2.3446 -0.2833 O 0 0 0 0 0 -5.5060 1.3446 -2.5620 O 0 0 0 0 0 -6.0779 0.0255 -0.5565 N 0 0 0 0 0 -5.9342 -0.3453 0.8535 C 0 0 0 0 0 -7.1175 -1.2194 1.2743 C 0 0 0 0 0 -7.0811 -2.4514 0.5527 O 0 0 0 0 0 -8.1489 -3.3457 0.8734 C 0 0 0 0 0 5.2005 -2.9947 -0.8778 H 0 0 0 0 0 3.7725 -2.4348 0.0256 H 0 0 0 0 0 4.2164 -1.6534 -1.5112 H 0 0 0 0 0 7.8282 -2.4770 -1.0475 H 0 0 0 0 0 8.2135 -2.8840 0.6420 H 0 0 0 0 0 6.6759 -3.4233 -0.0752 H 0 0 0 0 0 3.9677 2.3938 1.4983 H 0 0 0 0 0 1.6340 3.1797 1.2134 H 0 0 0 0 0 0.7660 -1.3167 -1.4168 H 0 0 0 0 0 -1.1830 -0.8891 -2.9871 H 0 0 0 0 0 -0.7974 0.8139 0.9166 H 0 0 0 0 0 -3.5333 -0.1627 -3.0664 H 0 0 0 0 0 -3.1479 1.5364 0.8279 H 0 0 0 0 0 -6.7091 -0.4476 -1.1204 H 0 0 0 0 0 -5.0063 -0.9007 0.9900 H 0 0 0 0 0 -5.9114 0.5558 1.4662 H 0 0 0 0 0 -7.0574 -1.4222 2.3437 H 0 0 0 0 0 -8.0499 -0.6972 1.0550 H 0 0 0 0 0 -8.1099 -3.5923 1.9344 H 0 0 0 0 0 -9.1024 -2.8683 0.6459 H 0 0 0 0 0 -8.0493 -4.2565 0.2839 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 8 2 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 10 14 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 19 2 0 0 0 17 18 2 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 24 2 0 0 0 22 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 4 33 1 0 0 0 4 34 1 0 0 0 4 35 1 0 0 0 11 36 1 0 0 0 12 37 1 0 0 0 15 38 1 0 0 0 17 39 1 0 0 0 19 40 1 0 0 0 18 41 1 0 0 0 20 42 1 0 0 0 25 43 1 0 0 0 26 44 1 0 0 0 26 45 1 0 0 0 27 46 1 0 0 0 27 47 1 0 0 0 29 48 1 0 0 0 29 49 1 0 0 0 29 50 1 0 0 0 M END $$$$