Alanine, N-(3-indolylacetyl)- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=46e8b9e6-493e-4a21-9115-b128f44c8b1c 30 31 0 0 0 0 0 0 0 0999 V2000 1.9008 0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 0.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 1.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 0.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 -0.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7578 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4253 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3272 0.6297 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7383 -0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 -1.5244 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 -2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 1.4533 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 3 1 0 3 4 1 6 1 5 2 0 1 6 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 10 18 1 0 13 18 2 0 9 12 1 0 2 7 1 0 6 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 10 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 2 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 20 M SMT 1 TMS M SCL 1 M SBV 1 20 -0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 24 M SMT 2 ^TMS M SCL 2 M SBV 2 24 0.3344 0.7511 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 27 28 29 30 M SBL 3 1 28 M SMT 3 TMS M SCL 3 M SBV 3 28 0.0000 -0.8221 M END