Tyrosine, 3-nitro- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=e211e880-ffc0-4ea5-ac72-4ef35ddeb8c7 28 28 0 0 0 0 0 0 0 0999 V2000 1.4853 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -0.0029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1997 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 1.2346 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8016 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 0.8221 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9117 1.2332 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -0.4139 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 1 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 5 11 1 0 1 12 2 0 1 13 1 0 14 15 2 0 14 16 1 0 7 14 1 0 13 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 9 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 2 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M CHG 2 14 1 16 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 17 18 19 20 M SBL 1 1 17 M SMT 1 TMS M SCL 1 M SBV 1 17 -0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 21 22 23 24 M SBL 2 1 21 M SMT 2 TMS M SCL 2 M SBV 2 21 0.0000 0.8221 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 25 26 27 28 M SBL 3 1 25 M SMT 3 TMS M SCL 3 M SBV 3 25 -0.7120 0.4111 M END