molbank_dithiazolimine graphical abstract.cdx corina 08031010293D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 26 28 0 0 0 0 0 0 0 0999 V2000 -0.0168 1.3855 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -0.5034 -0.0165 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 1.4307 -0.0132 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 2.1405 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 -0.8087 0.0086 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 -2.1404 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -2.9868 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 -4.3801 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 -4.8699 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -3.9561 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 -2.6553 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 -2.4326 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 -5.3063 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 -6.2797 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -4.4205 -0.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 2.1571 0.0210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -3.4470 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -4.1556 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -5.3414 -1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9554 -6.2072 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1637 -7.0396 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -7.0097 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2166 -6.1525 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 -1.9930 0.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -7.3981 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 2 0 2 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 8 13 1 0 9 14 1 0 10 15 1 0 11 16 1 0 1 17 1 0 16 18 1 0 18 19 1 0 14 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 14 1 0 13 25 3 0 15 26 3 0 M END $$$$