Diethanolamine (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=a97ce343-c21f-4139-97ff-c67a68e557ae 19 18 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3567 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.4669 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.4669 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 2 4 1 0 1 3 1 0 5 6 1 0 5 7 1 0 1 6 1 0 1 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 7 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 4 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 7 M SMT 1 TMS M SCL 1 M SBV 1 7 0.0000 -0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 12 13 14 15 M SBL 2 1 11 M SMT 2 TMS M SCL 2 M SBV 2 11 -0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 16 17 18 19 M SBL 3 1 15 M SMT 3 ^TMS M SCL 3 M SBV 3 15 0.7120 -0.4111 M END