KEGG:C11321 3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate ISISHOST03240423282D 1 1.00000 0.00000 11153 47 50 0 1 0 999 V2000 -1.3958 -13.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3958 -13.9208 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6963 -14.3209 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6963 -12.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0.0032 -13.1083 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0003 -13.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0.7002 -14.3258 0.0000 C 0 0 0 0 0 0 0 0 0 1.4045 -13.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0.7072 -12.7008 0.0000 C 0 0 2 0 0 0 0 0 0 1.4041 -13.1169 0.0000 C 0 0 2 0 0 0 0 0 0 1.4210 -11.4957 0.0000 C 0 0 1 0 0 0 0 0 0 0.7125 -11.8910 0.0000 C 0 0 0 0 0 0 0 0 0 2.1179 -11.9077 0.0000 C 0 0 1 0 0 0 0 0 0 2.1040 -12.7210 0.0000 C 0 0 1 0 0 0 0 0 0 3.5130 -12.7451 0.0000 C 0 0 0 0 0 0 0 0 0 3.5269 -11.9318 0.0000 C 0 0 0 0 0 0 0 0 0 2.8271 -11.5105 0.0000 C 0 0 2 0 0 0 0 0 0 2.8291 -10.7000 0.0000 C 0 0 1 0 0 0 0 0 0 3.5333 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2333 -10.6958 0.0000 C 0 0 0 0 0 0 0 0 0 4.9333 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6375 -10.6917 0.0000 N 0 0 0 0 0 0 0 0 0 6.3375 -10.2834 0.0000 C 0 0 0 0 0 0 0 0 0 7.0375 -10.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7416 -10.2792 0.0000 C 0 0 0 0 0 0 0 0 0 8.4458 -10.6833 0.0000 N 0 3 3 0 0 0 0 0 0 9.1458 -10.2750 0.0000 C 0 0 0 0 0 0 0 0 0 9.8458 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1233 -10.2913 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -11.2958 0.0000 H 0 0 0 0 0 0 0 0 0 2.1125 -11.0959 0.0000 C 0 0 0 0 0 0 0 0 0 1.4209 -10.6833 0.0000 O 0 0 0 0 0 0 0 0 0 1.3959 -12.3083 0.0000 H 0 0 0 0 0 0 0 0 0 -0.0042 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0042 -14.7250 0.0000 H 0 0 0 0 0 0 0 0 0 2.1051 -14.3334 0.0000 O 0 0 0 0 0 0 0 0 0 2.0959 -13.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0.7042 -13.5084 0.0000 H 0 0 0 0 0 0 0 0 0 -2.1014 -14.3261 0.0000 O 0 0 0 0 0 0 0 0 0 4.9315 -9.4750 0.0000 O 0 0 0 0 0 0 0 0 0 7.7666 -11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 9.0916 -11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 10.5500 -10.2709 0.0000 C 0 0 0 0 0 0 0 0 0 11.2500 -10.6792 0.0000 S 0 0 3 0 0 0 0 0 0 11.9542 -11.0750 0.0000 O 0 5 0 0 0 0 0 0 0 11.7916 -9.9834 0.0000 O 0 0 0 0 0 0 0 0 0 10.6291 -11.3084 0.0000 O 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 5 6 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 9 12 1 0 0 0 24 25 1 0 0 0 10 14 1 0 0 0 25 26 1 0 0 0 13 11 1 0 0 0 26 27 1 0 0 0 11 12 1 0 0 0 27 28 1 0 0 0 13 14 1 0 0 0 18 29 1 6 0 0 1 2 1 0 0 0 17 30 1 6 0 0 1 4 1 0 0 0 13 31 1 1 0 0 2 3 1 0 0 0 11 32 1 6 0 0 5 9 1 0 0 0 10 33 1 1 0 0 6 7 1 0 0 0 5 34 1 1 0 0 15 16 1 0 0 0 6 35 1 1 0 0 16 17 1 0 0 0 8 36 1 6 0 0 17 13 1 0 0 0 14 37 1 6 0 0 14 15 1 0 0 0 9 38 1 6 0 0 7 8 1 0 0 0 2 39 1 6 0 0 17 18 1 0 0 0 21 40 2 0 0 0 8 10 1 0 0 0 26 41 1 0 0 0 18 19 1 0 0 0 26 42 1 0 0 0 9 10 1 0 0 0 28 43 1 0 0 0 19 20 1 0 0 0 43 44 1 0 0 0 3 6 1 0 0 0 44 45 1 0 0 0 20 21 1 0 0 0 44 46 2 0 0 0 5 4 1 0 0 0 44 47 2 0 0 0 M CHG 2 26 1 45 -1 M END