99S Converted by convert_cif2sdf.py 2026/01/30 11:05:38 54 57 0 0 0 0 0 0 0 0999 V2000 -7.6675 -0.4610 -0.0660 O 0 0 0 0 0 -6.6159 0.1495 -0.0326 C 0 0 0 0 0 -6.6188 1.4931 0.0883 O 0 0 0 0 0 -7.8940 2.1343 0.1635 C 0 0 0 0 0 -5.3475 -0.5741 -0.1154 C 0 0 0 0 0 -5.2205 -1.9309 -0.2384 C 0 0 0 0 0 -3.9300 -2.3813 -0.2968 C 0 0 0 0 0 -3.7537 0.1671 -0.0797 S 0 0 0 0 0 -2.9792 -1.4053 -0.2235 C 0 0 0 0 0 -1.5200 -1.6341 -0.2648 C 0 0 0 0 0 -1.0190 -2.9290 -0.3881 C 0 0 0 0 0 0.3587 -3.1360 -0.4257 C 0 0 0 0 0 0.8816 -4.4626 -0.5524 C 0 0 0 0 0 1.2965 -5.5152 -0.6531 N 0 0 0 0 0 1.2282 -2.0453 -0.3418 C 0 0 0 0 0 -0.6387 -0.5528 -0.1871 C 0 0 0 0 0 0.7252 -0.7654 -0.2196 C 0 0 0 0 0 1.6690 0.4068 -0.1348 C 0 0 0 0 0 3.1038 -0.0680 -0.3725 C 0 0 0 0 0 3.2402 -0.5800 -1.8074 C 0 0 0 0 0 4.0701 1.0976 -0.1522 C 0 0 0 0 0 1.2956 1.4367 -1.1702 C 0 0 0 0 0 1.0625 1.0011 -2.5145 C 0 0 0 0 0 0.8771 0.6549 -3.5804 N 0 0 0 0 0 1.1711 2.7502 -0.8897 C 0 0 0 0 0 0.8309 3.5940 -1.9178 N 0 0 0 0 0 1.5639 1.0475 1.2255 C 0 0 0 0 0 1.5869 0.4821 2.4426 C 0 0 0 0 0 1.7280 -0.9893 2.7377 C 0 0 0 0 0 1.4610 1.4718 3.3561 N 0 0 0 0 0 1.3559 2.6902 2.6679 N 0 0 0 0 0 1.4170 2.4416 1.3920 C 0 0 0 0 0 1.3564 3.2923 0.3311 O 0 0 0 0 0 -7.7542 3.2114 0.2576 H 0 0 0 0 0 -8.4634 1.9193 -0.7406 H 0 0 0 0 0 -8.4378 1.7616 1.0320 H 0 0 0 0 0 -6.0715 -2.5937 -0.2852 H 0 0 0 0 0 -3.6829 -3.4277 -0.3935 H 0 0 0 0 0 -1.6957 -3.7677 -0.4526 H 0 0 0 0 0 2.2963 -2.2040 -0.3713 H 0 0 0 0 0 -1.0254 0.4513 -0.0961 H 0 0 0 0 0 3.3411 -0.8726 0.3243 H 0 0 0 0 0 3.1484 0.2546 -2.5021 H 0 0 0 0 0 4.2154 -1.0516 -1.9341 H 0 0 0 0 0 2.4556 -1.3089 -2.0095 H 0 0 0 0 0 3.9609 1.4728 0.8646 H 0 0 0 0 0 5.0939 0.7553 -0.3059 H 0 0 0 0 0 3.8435 1.8955 -0.8610 H 0 0 0 0 0 0.6887 3.2390 -2.8089 H 0 0 0 0 0 0.7319 4.5451 -1.7529 H 0 0 0 0 0 2.7827 -1.2626 2.7253 H 0 0 0 0 0 1.3073 -1.2044 3.7200 H 0 0 0 0 0 1.1943 -1.5637 1.9801 H 0 0 0 0 0 1.4442 1.3585 4.3196 H 0 0 0 0 0 4 3 1 0 0 0 3 2 1 0 0 0 6 5 2 0 0 0 6 7 1 0 0 0 2 5 1 0 0 0 2 1 2 0 0 0 5 8 1 0 0 0 30 31 1 0 0 0 30 28 1 0 0 0 7 9 2 0 0 0 29 28 1 0 0 0 31 32 2 0 0 0 28 27 2 0 0 0 9 8 1 0 0 0 9 10 1 0 0 0 32 27 1 0 0 0 32 33 1 0 0 0 27 18 1 0 0 0 16 10 2 0 0 0 16 17 1 0 0 0 10 11 1 0 0 0 33 25 1 0 0 0 20 19 1 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 18 22 1 0 0 0 17 15 2 0 0 0 11 12 2 0 0 0 19 21 1 0 0 0 25 22 2 0 0 0 25 26 1 0 0 0 22 23 1 0 0 0 15 12 1 0 0 0 12 13 1 0 0 0 23 24 3 0 0 0 13 14 3 0 0 0 4 34 1 0 0 0 4 35 1 0 0 0 4 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 11 39 1 0 0 0 15 40 1 0 0 0 16 41 1 0 0 0 19 42 1 0 0 0 20 43 1 0 0 0 20 44 1 0 0 0 20 45 1 0 0 0 21 46 1 0 0 0 21 47 1 0 0 0 21 48 1 0 0 0 26 49 1 0 0 0 26 50 1 0 0 0 29 51 1 0 0 0 29 52 1 0 0 0 29 53 1 0 0 0 30 54 1 0 0 0 M END $$$$