CDS Converted by convert_cif2sdf.py 2026/01/30 11:05:38 53 55 0 0 0 0 0 0 0 0999 V2000 4.2350 -1.9925 -0.3440 O 0 0 0 0 0 3.9303 -0.8306 -0.1606 C 0 0 0 0 0 4.9800 0.2156 -0.1361 C 0 0 0 0 0 4.6266 1.6090 0.2125 C 0 0 0 0 0 3.4058 1.9559 0.6223 N 0 0 0 0 0 3.2144 3.2073 0.8996 C 0 0 0 0 0 2.0208 3.7545 1.3385 N 0 0 0 0 0 4.7060 4.1043 0.6324 S 0 0 0 0 0 5.5165 2.6179 0.1427 C 0 0 0 0 0 6.2130 -0.0914 -0.4223 N 0 0 0 0 0 6.5713 -1.4429 -0.6505 O 0 0 0 0 0 7.9544 -1.6339 -0.9532 C 0 0 0 0 0 2.6376 -0.4929 0.0171 N 0 0 0 0 0 1.5898 -1.5081 -0.1210 C 0 0 0 0 0 1.2069 -1.6411 -1.5723 C 0 0 0 0 0 1.7523 -0.9578 -2.4060 O 0 0 0 0 0 0.3647 -1.0887 0.6936 C 0 0 0 0 0 -0.3026 0.4787 0.0485 S 0 0 0 0 0 -0.6926 -2.1020 0.5622 N 0 0 0 0 0 -2.0012 -1.8214 0.9376 C 0 0 0 0 0 -2.8963 -2.9652 1.0989 C 0 0 0 0 0 -4.0786 -2.7859 1.3250 O 0 0 0 0 0 -2.4123 -4.2208 0.9968 O 0 0 0 0 0 -2.5274 -0.6080 1.1672 C 0 0 0 0 0 -1.7802 0.6920 1.0864 C 0 0 0 0 0 -3.8893 -0.5495 1.5122 C 0 0 0 0 0 -4.7845 0.0042 0.6523 C 0 0 0 0 0 -4.3845 0.3473 -0.6638 C 0 0 0 0 0 -5.1389 1.0208 -1.5886 C 0 0 0 0 0 -6.5399 1.5024 -1.3150 C 0 0 0 0 0 -4.5275 1.2091 -2.7331 N 0 0 0 0 0 -3.3250 0.7514 -2.8502 C 0 0 0 0 0 -2.8259 -0.0095 -1.4032 S 0 0 0 0 0 1.2430 3.1883 1.4614 H 0 0 0 0 0 1.9622 4.7049 1.5246 H 0 0 0 0 0 6.5488 2.5323 -0.1620 H 0 0 0 0 0 8.1476 -2.6945 -1.1140 H 0 0 0 0 0 8.2091 -1.0769 -1.8546 H 0 0 0 0 0 8.5611 -1.2757 -0.1208 H 0 0 0 0 0 2.4013 0.4218 0.2344 H 0 0 0 0 0 1.9606 -2.4643 0.2460 H 0 0 0 0 0 0.4440 -2.3463 -1.8666 H 0 0 0 0 0 0.6382 -0.9731 1.7425 H 0 0 0 0 0 -0.4740 -2.9779 0.2085 H 0 0 0 0 0 -3.0790 -4.9112 1.1175 H 0 0 0 0 0 -1.4797 1.0020 2.0874 H 0 0 0 0 0 -2.4243 1.4546 0.6486 H 0 0 0 0 0 -4.2243 -0.9438 2.4600 H 0 0 0 0 0 -5.8007 0.1822 0.9717 H 0 0 0 0 0 -6.5047 2.5103 -0.9039 H 0 0 0 0 0 -7.1093 1.5085 -2.2444 H 0 0 0 0 0 -7.0205 0.8343 -0.5996 H 0 0 0 0 0 -2.7163 0.8404 -3.7386 H 0 0 0 0 0 1 2 2 0 0 0 2 13 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 10 2 0 0 0 4 9 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 8 1 0 0 0 6 7 1 0 0 0 7 34 1 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 9 36 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 37 1 0 0 0 12 38 1 0 0 0 12 39 1 0 0 0 13 14 1 0 0 0 13 40 1 0 0 0 14 15 1 0 0 0 14 17 1 0 0 0 14 41 1 0 0 0 15 16 2 0 0 0 15 42 1 0 0 0 17 19 1 0 0 0 17 18 1 0 0 0 17 43 1 0 0 0 18 25 1 0 0 0 19 20 1 0 0 0 19 44 1 0 0 0 20 21 1 0 0 0 20 24 2 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 45 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 46 1 0 0 0 25 47 1 0 0 0 26 27 2 0 0 0 26 48 1 0 0 0 27 28 1 0 0 0 27 49 1 0 0 0 28 33 1 0 0 0 28 29 2 0 0 0 29 31 1 0 0 0 29 30 1 0 0 0 30 50 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 32 53 1 0 0 0 M END $$$$