D07GZG 07220500112D 1 1.00000 0.00000 0 45 49 0 1 0 999 V2000 0.5379 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0.6034 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 1.2276 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0621 2.2207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0448 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 1.3345 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 1.7207 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 1.3172 2.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0.0276 2.9655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0448 -0.1103 0.0000 C 0 0 2 0 0 0 0 0 0 0.7172 3.2586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6379 -0.5414 0.0000 N 0 0 0 0 0 0 0 0 0 0.5759 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7621 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0.6897 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0 0.5793 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3828 -0.9621 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7586 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 1.2828 -0.9621 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9759 -0.5276 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3862 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 1.2828 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 1.9069 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0897 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5586 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1931 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 1.9310 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.1241 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0 1.9069 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7138 -0.1103 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0862 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0 1.9310 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0 2.5828 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7138 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3034 -0.5414 0.0000 N 0 0 0 0 0 0 0 0 0 2.5828 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 3.2310 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0655 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 3.2310 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0655 1.7724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4138 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4138 2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7655 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7655 1.7724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1138 2.1483 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 10 5 1 1 0 0 8 11 2 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 2 0 0 0 17 14 1 6 0 0 14 18 2 0 0 0 15 19 1 0 0 0 17 20 1 0 0 0 17 21 1 0 0 0 19 22 1 6 0 0 19 23 1 0 0 0 20 24 1 0 0 0 20 25 1 0 0 0 21 26 1 0 0 0 22 27 1 0 0 0 23 28 1 0 0 0 23 29 2 0 0 0 24 30 1 0 0 0 24 31 2 0 0 0 27 32 2 0 0 0 27 33 1 0 0 0 30 34 1 1 0 0 30 35 1 0 0 0 32 36 1 0 0 0 33 37 2 0 0 0 34 38 1 0 0 0 36 39 2 0 0 0 38 40 2 0 0 0 38 41 1 0 0 0 40 42 1 0 0 0 41 43 2 0 0 0 42 44 2 0 0 0 44 45 1 0 0 0 6 7 1 0 0 0 9 11 1 0 0 0 25 26 1 0 0 0 37 39 1 0 0 0 43 44 1 0 0 0 M PXA 35 -3.5276 -0.5241 0.0000 H NH2 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 5 M SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 16 M SBL 1 2 13 14 M SMT 1 Trp M SBV 1 13 -0.1207 0.0000 M SBV 1 14 0.1103 0.0000 M SCL 1 AA M SAP 1 2 12 14 Al 13 15 Br M SAL 2 12 24 30 31 34 35 38 40 41 42 43 44 45 M SBL 2 1 23 M SMT 2 Tyr M SBV 2 23 0.1207 0.0000 M SCL 2 AA M SAP 2 2 24 20 Br 35 0 Al M SAL 3 7 14 17 18 20 21 25 26 M SBL 3 2 13 23 M SMT 3 Pro M SBV 3 13 0.1207 0.0000 M SBV 3 23 -0.1207 0.0000 M SCL 3 AA M SAP 3 2 14 12 Br 20 24 Al M SAL 4 11 15 19 22 23 27 29 32 33 36 37 39 M SBL 4 2 14 27 M SMT 4 Phe M SBV 4 14 -0.1103 0.0000 M SBV 4 27 0.2207 0.0103 M SCL 4 AA M SAP 4 2 15 13 Al 23 28 Br M END $$$$