D0D8EY 06060700072D 1 1.00000 0.00000 0 96 97 0 1 0 999 V2000 1.0207 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0.4862 0.5414 0.0000 C 0 0 1 0 0 0 0 0 0 1.0241 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0241 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 0.4862 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 1.0448 1.5103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4759 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0103 -0.1931 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4724 0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5172 0.1793 0.0000 N 0 0 0 0 0 0 0 0 0 -2.0103 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4517 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4517 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8931 -2.1103 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8862 -2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4345 -3.1103 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3172 -3.0690 0.0000 N 0 0 0 0 0 0 0 0 0 4.9586 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 5.4655 0.5310 0.0000 C 0 0 2 0 0 0 0 0 0 6.0000 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 5.4655 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 6.0034 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 6.0241 1.5103 0.0000 S 0 0 0 0 0 0 0 0 0 3.5138 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 2.9759 0.5414 0.0000 C 0 0 1 0 0 0 0 0 0 3.5138 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 2.4690 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 2.9793 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 3.5345 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 3.5345 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 2.9793 2.4759 0.0000 N 0 0 0 0 0 0 0 0 0 4.0931 2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7207 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2552 0.5414 0.0000 C 0 0 1 0 0 0 0 0 0 -2.7172 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7621 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2552 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6966 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6966 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1414 2.4586 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1345 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6793 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 -1.5655 3.4172 0.0000 N 0 0 0 0 0 0 0 0 0 2.2621 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 1.7276 -0.1931 0.0000 C 0 0 1 0 0 0 0 0 0 2.2655 0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 1.2207 0.1793 0.0000 N 0 0 0 0 0 0 0 0 0 1.7276 -0.8414 0.0000 C 0 0 3 0 0 0 0 0 0 2.2862 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 1.1690 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2069 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -5.7448 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2069 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -6.2517 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 4.7241 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 4.7828 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 5.3172 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 4.2103 -2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 4.2241 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 5.4103 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 5.7414 -1.5724 0.0000 N 0 0 0 0 0 0 0 0 0 5.3931 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.2862 -2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 4.2241 -0.1931 0.0000 C 0 0 2 0 0 0 0 0 0 4.8793 -3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 3.7138 0.1793 0.0000 N 0 0 0 0 0 0 0 0 0 4.7586 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 4.7621 0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2276 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7621 0.5414 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2276 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2724 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7621 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2034 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0.3517 2.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0.3586 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1897 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0.9276 3.4172 0.0000 N 0 0 0 0 0 0 0 0 0 -6.2517 -0.5448 0.0000 N 0 0 0 0 0 0 0 0 0 -5.7448 -0.9138 0.0000 C 0 0 2 0 0 0 0 0 0 -5.2069 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 -5.7448 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2069 0.0931 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9621 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4966 -0.1931 0.0000 C 0 0 2 0 0 0 0 0 0 -3.9586 0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4966 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0069 0.1793 0.0000 N 0 0 0 0 0 0 0 0 0 -3.9379 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9379 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3828 -2.1103 0.0000 N 0 0 0 0 0 0 0 0 0 -3.3759 -2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9207 -3.1103 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8069 -3.0690 0.0000 N 0 0 0 0 0 0 0 0 0 -5.0241 -0.5414 0.0000 O 0 0 0 0 0 0 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 67 18 1 0 0 0 44 45 1 0 0 0 44 46 2 0 0 0 45 47 1 0 0 0 45 48 1 6 0 0 48 49 1 0 0 0 48 50 1 0 0 0 27 44 1 0 0 0 20 80 1 0 0 0 47 1 1 0 0 0 1 2 1 0 0 0 51 52 1 0 0 0 51 53 2 0 0 0 52 54 1 0 0 0 1 3 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 1 1 0 0 20 22 2 0 0 0 21 23 1 0 0 0 2 4 1 0 0 0 2 5 1 1 0 0 5 6 1 0 0 0 82 96 1 0 0 0 4 69 1 0 0 0 72 7 1 0 0 0 55 56 1 0 0 0 55 57 2 0 0 0 55 58 1 0 0 0 56 59 1 0 0 0 56 60 2 0 0 0 57 61 1 0 0 0 57 62 1 0 0 0 58 63 2 0 0 0 64 59 1 6 0 0 62 65 2 0 0 0 64 66 1 0 0 0 64 67 1 0 0 0 67 68 2 0 0 0 60 61 1 0 0 0 63 65 1 0 0 0 10 33 1 0 0 0 36 85 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 25 28 1 1 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 69 70 1 0 0 0 69 71 2 0 0 0 70 72 1 0 0 0 70 73 1 1 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 77 79 2 0 0 0 89 51 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 81 83 1 6 0 0 82 84 2 0 0 0 66 24 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 8 11 1 6 0 0 11 12 1 0 0 0 33 34 1 0 0 0 33 35 2 0 0 0 34 36 1 0 0 0 34 37 1 1 0 0 37 38 1 0 0 0 85 86 1 0 0 0 85 87 2 0 0 0 86 88 1 6 0 0 86 89 1 0 0 0 88 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 93 95 2 0 0 0 38 39 1 0 0 0 M PXA 54 -6.4414 0.1862 0.0000 H NH2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 4 9 SUP 10 SUP 11 SUP 12 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 4 9 9 10 11 11 12 12 13 M SAL 1 6 18 19 20 21 22 23 M SBL 1 2 10 18 M SMT 1 Cys M SBV 1 10 -0.2000 0.0000 M SBV 1 18 -12.2500 -0.7300 M SCL 1 AA M SAP 1 2 18 67 Al 20 80 Br M SAL 2 11 7 8 9 10 11 12 13 14 15 16 17 M SBL 2 2 35 51 M SMT 2 Arg M SBV 2 35 0.2000 0.0000 M SBV 2 51 -0.2000 0.0000 M SCL 2 AA M SAP 2 2 7 72 Br 10 33 Al M SAL 3 9 24 25 26 27 28 29 30 31 32 M SBL 3 2 17 76 M SMT 3 Gln M SBV 3 76 0.2000 0.0000 M SBV 3 17 -0.2100 0.0000 M SCL 3 AA M SAP 3 2 24 66 Br 27 44 Al M SAL 4 5 80 81 82 83 84 M SBL 4 2 18 33 M SMT 4 Ala M SBV 4 18 12.2500 0.7300 M SBV 4 33 0.1800 0.0200 M SCL 4 AA M SAP 4 2 80 20 Al 82 96 Br M SAL 5 4 51 52 53 54 M SBL 5 1 71 M SMT 5 Gly M SBV 5 71 0.2000 0.0000 M SCL 5 AA M SAP 5 2 51 89 Br 54 0 Al M SAL 6 11 33 34 35 36 37 38 39 40 41 42 43 M SBL 6 2 51 52 M SMT 6 Arg M SBV 6 51 0.2000 0.0000 M SBV 6 52 -0.2000 0.0000 M SCL 6 AA M SAP 6 2 33 10 Br 36 85 Al M SAL 7 11 69 70 71 72 73 74 75 76 77 78 79 M SBL 7 2 34 35 M SMT 7 Arg M SBV 7 34 0.2000 -0.0100 M SBV 7 35 -0.2000 0.0000 M SCL 7 AA M SAP 7 2 69 4 Br 72 7 Al M SAL 8 6 1 2 3 4 5 6 M SBL 8 2 19 34 M SMT 8 Ser M SBV 8 19 0.2000 0.0000 M SBV 8 34 -0.2000 0.0100 M SCL 8 AA M SAP 8 2 1 47 Br 4 69 Al M SAL 9 14 55 56 57 58 59 60 61 62 63 64 65 66 67 68 M SBL 9 2 10 76 M SMT 9 Trp M SBV 9 76 -0.2000 0.0000 M SBV 9 10 0.2000 0.0000 M SCL 9 AA M SAP 9 2 66 24 Al 67 18 Br M SAL 10 11 85 86 87 88 89 90 91 92 93 94 95 M SBL 10 2 52 71 M SMT 10 Arg M SBV 10 52 0.2000 0.0000 M SBV 10 71 -0.2000 0.0000 M SCL 10 AA M SAP 10 2 85 36 Br 89 51 Al M SAL 11 7 44 45 46 47 48 49 50 M SBL 11 2 17 19 M SMT 11 Val M SBV 11 17 0.2100 0.0000 M SBV 11 19 -0.2000 0.0000 M SCL 11 AA M SAP 11 2 44 27 Br 47 1 Al M SAL 12 1 96 M SBL 12 1 33 M SMT 12 OH M SBV 12 33 -0.1800 -0.0200 M SCL 12 LGRP M END $$$$