HTS1710-04822672 46 48 0 0 0 0 0 0 0 0999 V2000 -7.3195 7.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4376 5.8941 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8558 8.5343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0695 9.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8195 7.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2829 8.5343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 4.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3009 2.4103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2242 6.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6513 5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 5.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 1.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 4.2510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 4.8374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0807 5.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7095 8.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0695 10.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 6.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 6.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 3.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1722 6.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8001 4.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 4.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 5.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9911 8.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2801 9.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6260 9.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 11.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0695 11.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4786 11.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0172 3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 3.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 6.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 6.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 6.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 6.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 3.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 3.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4089 1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 3.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 10 3 0 0 0 0 12 2 2 0 0 0 0 13 2 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 6 0 0 0 18 14 1 1 0 0 0 18 23 1 0 0 0 0 19 6 1 0 0 0 0 20 4 1 0 0 0 0 21 17 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 24 18 1 0 0 0 0 25 26 2 0 0 0 0 25 15 1 0 0 0 0 26 16 1 0 0 0 0 5 27 1 0 0 0 0 9 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END >HTS1710-04822672-01 > Namiki1710 > NS-020391720-0000 > C16H20N6O3S > 376.440 > 0 > 1 > 7 > 0 > 122.7900 > -9.7411 > -0.9191 > 1.525 > -3.096 > N#Cc3nccnc3OC1CCC(NS(c2cn(c(n2)C)C)(=O)=O)CC1 > 91626222 $$$$