KEGG:C11205 Hexadimethrine bromide ISISHOST03240423272D 1 1.00000 0.00000 10792 17 15 0 0 0 999 V2000 -0.7834 -11.9625 0.0000 N 0 0 3 0 0 0 0 0 0 -0.0667 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0.6500 -11.9583 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 2.0791 -11.9541 0.0000 C 0 0 0 0 0 0 0 0 0 2.7958 -12.3666 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2291 -12.3625 0.0000 N 0 0 3 0 0 0 0 0 0 4.9458 -11.9458 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 -13.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7875 -11.1334 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5041 -12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -12.2958 0.0000 Br 0 0 0 0 0 0 0 0 0 8.2333 -11.8792 0.0000 C 0 0 0 0 0 0 0 0 0 8.9500 -12.2917 0.0000 C 0 0 0 0 0 0 0 0 0 9.6667 -11.8750 0.0000 C 0 0 0 0 0 0 0 0 0 10.3792 -12.2875 0.0000 Br 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 8 10 1 0 0 0 1 11 1 0 0 0 4 5 1 0 0 0 1 12 1 0 0 0 1 2 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 2 3 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 M STY 3 1 SRU 2 MOD 3 MOD M SLB 3 1 1 2 2 3 3 M SCN 3 1 HT 2 HT 3 HT M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 2 16 17 M SDI 1 4 -3.4900 -14.2400 -3.4900 -10.0700 M SDI 1 4 12.0600 -10.0700 12.0600 -14.2400 M SAL 2 12 1 2 3 4 5 6 7 8 9 10 11 12 M SDI 2 4 -2.6100 -13.6300 -2.6100 -10.6800 M SDI 2 4 5.9200 -10.6800 5.9200 -13.6300 M SAL 3 5 13 14 15 16 17 M SDI 3 4 6.8200 -12.9000 6.8200 -11.4200 M SDI 3 4 10.9400 -11.4200 10.9400 -12.9000 M END