HTS2204-04903265 53 53 0 0 0 0 0 0 0 0999 V2000 -5.0902 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 1.2001 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 2.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 3.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 5.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 4.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 2.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 0.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 2.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 -1.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -1.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -3.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 -4.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 -4.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -5.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 -2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 -0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2149 -1.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6898 -0.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 0.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8618 1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 2.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 3.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 4.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 5.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 5.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 5.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 4.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1664 3.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 -0.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 0.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 2.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -1.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 -4.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3452 -5.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 -5.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2362 -5.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -6.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 -5.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 -2.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 -3.1288 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 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 20 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END >HTS2204-04903265-01 > Namiki2204 > NS-020287396-0000 > C16H30N2O4S > 346.491 > 0 > 2 > 4 > 3 > 76.6600 > -8.8647 > 0.4128 > -2.137 > 1.457 > -4.453 > CCSC1CCCC1NC(C(NC(OC(C)(C)C)=O)COC)=O > 124881576 124881575 124881574 124881573 121560144 $$$$