KEGG:C11317 Solutol HS 15 ISISHOST03240423282D 1 1.00000 0.00000 11112 24 23 0 0 0 999 V2000 -3.0291 -12.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3125 -11.9125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 -12.3208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8791 -11.9083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1625 -12.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -11.9041 0.0000 C 0 0 0 0 0 0 0 0 0 1.2709 -12.3125 0.0000 C 0 0 3 0 0 0 0 0 0 1.9875 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 -12.3083 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -11.8958 0.0000 C 0 0 0 0 0 0 0 0 0 4.1334 -12.3041 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 -11.8916 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2834 -11.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 1.2727 -13.1417 0.0000 O 0 0 0 0 0 0 0 0 0 7.7125 -11.8833 0.0000 C 0 0 0 0 0 0 0 0 0 8.4292 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 9.1459 -11.8833 0.0000 C 0 0 0 0 0 0 0 0 0 10.1650 -12.2950 0.0000 O 0 0 0 0 0 0 0 0 0 10.8831 -11.8816 0.0000 C 0 0 0 0 0 0 0 0 0 11.6023 -12.2933 0.0000 C 0 0 0 0 0 0 0 0 0 12.6662 -11.8799 0.0000 O 0 0 0 0 0 0 0 0 0 9.1449 -11.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 7 8 1 0 0 0 7 16 1 0 0 0 15 17 1 0 0 0 8 9 1 0 0 0 17 18 1 0 0 0 4 5 1 0 0 0 18 19 1 0 0 0 9 10 1 0 0 0 2 3 1 0 0 0 10 11 1 0 0 0 5 6 1 0 0 0 11 12 1 0 0 0 19 20 1 0 0 0 1 2 1 0 0 0 20 21 1 0 0 0 12 13 1 0 0 0 21 22 1 0 0 0 6 7 1 0 0 0 22 23 1 0 0 0 13 14 1 0 0 0 19 24 2 0 0 0 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SAL 1 3 20 21 22 M SBL 1 2 15 21 M SDI 1 4 9.5300 -12.5000 9.5300 -11.6700 M SDI 1 4 11.9900 -11.6600 11.9900 -12.4900 M END