HTS2204-06962117 56 57 0 0 0 0 0 0 0 0999 V2000 0.3031 2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -3.9750 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 0.5250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 2.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 -0.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 2.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 3.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0031 -0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 -1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 -2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 -1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 0.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4126 1.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7991 4.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 3.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 3.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5778 3.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7117 3.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9869 4.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 0.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0901 -1.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 -2.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -1.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 4 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 5 31 1 0 0 0 0 8 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 20 56 1 0 0 0 0 M END >HTS2204-06962117-01 > Namiki2204 > NS-043651366-0000 > C18H28N3O4SCl > 417.957 > 0 > 1 > 4 > 2 > 78.9500 > -12.3564 > -4.1589 > -2.812 > 1.818 > -4.493 > COc2c(C(N(C)C)=O)cc(cc2S(NC1CCCCC1N(C)C)(=O)=O)[Cl] > 166188492 $$$$