D0C4WC 09171000582D 1 1.00000 0.00000 0 110111 0 1 0 999 V2000 5.5690 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 5.5172 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 5.0379 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1690 1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 6.0793 2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 5.0241 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 5.0379 0.3828 0.0000 C 0 0 2 0 0 0 0 0 0 6.4828 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 6.1552 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5552 0.0276 0.0000 N 0 0 0 0 0 0 0 0 0 5.5483 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 5.6621 3.1379 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 5.8034 0.0379 0.0000 N 0 0 0 0 0 0 0 0 0 5.5517 -0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 3.7897 -0.3138 0.0000 C 0 0 1 0 0 0 0 0 0 4.3034 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 6.2862 -0.3138 0.0000 C 0 0 2 0 0 0 0 0 0 3.3069 0.0379 0.0000 N 0 0 0 0 0 0 0 0 0 3.7897 -0.9310 0.0000 C 0 0 2 0 0 0 0 0 0 6.7966 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 6.2862 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 3.0517 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 3.2586 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 4.3241 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4310 -0.7414 0.0000 N 0 0 0 0 0 0 0 0 0 6.8000 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 2.5414 0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 3.0552 -0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 3.2552 -1.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9448 -0.3897 0.0000 C 0 0 2 0 0 0 0 0 0 2.0586 0.0276 0.0000 N 0 0 0 0 0 0 0 0 0 2.5414 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 -4.4345 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9448 0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 1.8034 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 2.0103 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 3.0759 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1828 -0.7310 0.0000 N 0 0 0 0 0 0 0 0 0 -4.4345 -1.3483 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4138 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1.2931 -0.3138 0.0000 C 0 0 1 0 0 0 0 0 0 1.8069 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 2.0069 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6966 -1.0862 0.0000 C 0 0 2 0 0 0 0 0 0 -4.4138 1.1517 0.0000 S 0 0 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-0.3138 0.0000 C 0 0 1 0 0 0 0 0 0 -0.6897 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2000 -1.0862 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9172 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6862 0.0379 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2000 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6931 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4483 1.4586 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3862 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9414 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6690 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6690 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5172 -0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6897 -0.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4483 0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9379 -0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 -0.9310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6690 -1.8517 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 -1.7034 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6690 -2.6241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9345 0.0276 0.0000 N 0 0 0 0 0 0 0 0 0 -2.4483 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1897 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9172 1.3069 0.0000 C 0 0 3 0 0 0 0 0 0 -3.6966 -0.3138 0.0000 C 0 0 1 0 0 0 0 0 0 -3.1862 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9172 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3862 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1828 0.0379 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6966 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4345 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1655 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9448 0.3862 0.0000 C 0 0 2 0 0 0 0 0 0 -4.4345 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9448 1.0034 0.0000 C 0 0 1 0 0 0 0 0 0 -5.4310 0.0310 0.0000 N 0 0 0 0 0 0 0 0 0 -5.4759 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4138 1.3103 0.0000 O 0 0 0 0 0 0 0 0 0 -5.6103 0.0448 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 7 3 1 1 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 9 13 2 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 12 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 0 0 0 19 23 1 6 0 0 20 24 1 0 0 0 21 25 1 0 0 0 21 26 1 1 0 0 22 27 1 0 0 0 22 28 2 0 0 0 29 24 1 1 0 0 24 30 2 0 0 0 25 31 1 0 0 0 27 32 1 0 0 0 29 33 1 0 0 0 29 34 1 0 0 0 32 35 1 0 0 0 32 36 1 1 0 0 33 37 1 0 0 0 34 38 1 0 0 0 34 39 1 6 0 0 35 40 1 0 0 0 35 41 2 0 0 0 36 42 1 0 0 0 37 43 1 0 0 0 37 44 2 0 0 0 38 45 1 0 0 0 40 46 1 0 0 0 42 47 1 0 0 0 43 48 1 0 0 0 43 49 1 6 0 0 46 50 1 0 0 0 46 51 1 6 0 0 47 52 1 0 0 0 48 53 1 0 0 0 49 54 1 0 0 0 50 55 1 0 0 0 50 56 2 0 0 0 51 57 1 0 0 0 53 58 1 0 0 0 53 59 2 0 0 0 55 60 1 0 0 0 57 61 1 0 0 0 58 62 1 0 0 0 58 63 1 1 0 0 60 64 1 0 0 0 60 65 1 1 0 0 61 66 1 0 0 0 62 67 1 0 0 0 64 68 1 0 0 0 64 69 2 0 0 0 65 70 1 0 0 0 67 71 1 0 0 0 67 72 2 0 0 0 68 73 1 0 0 0 70 74 1 0 0 0 71 75 1 0 0 0 71 76 1 6 0 0 73 77 1 6 0 0 73 78 1 0 0 0 74 79 1 0 0 0 74 80 2 0 0 0 75 81 1 0 0 0 76 82 1 0 0 0 77 83 1 0 0 0 78 84 1 0 0 0 78 85 2 0 0 0 81 86 1 0 0 0 81 87 2 0 0 0 82 88 1 0 0 0 82 89 2 0 0 0 83 90 1 0 0 0 83 91 2 0 0 0 86 92 1 0 0 0 86 93 1 1 0 0 92 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 94 97 2 0 0 0 95 98 1 0 0 0 95 99 1 0 0 0 96100 1 0 0 0 96101 1 6 0 0 100102 1 0 0 0 101103 1 0 0 0 104102 1 1 0 0 102105 2 0 0 0 104106 1 0 0 0 104107 1 0 0 0 106108 1 0 0 0 106109 1 1 0 0 5 8 1 0 0 0 10 13 1 0 0 0 107110 1 0 0 0 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 8 9 SUP 10 SUP 11 SUP 12 SUP 13 SUP 14 SUP 15 SUP 16 SUP M SLB 8 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 M SLB 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 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 -0.2552 0.0000 M SBV 1 14 0.2621 0.0000 M SCL 1 AA M SAP 1 2 11 14 Al 12 15 Br M SAL 2 8 40 46 50 51 56 57 61 66 M SBL 2 2 39 54 M SMT 2 Met M SBV 2 39 -0.2621 0.0000 M SBV 2 54 0.2552 0.0000 M SCL 2 AA M SAP 2 2 40 35 Al 50 55 Br M SAL 3 9 55 60 64 65 69 70 74 79 80 M SBL 3 2 54 67 M SMT 3 Gln M SBV 3 54 -0.2552 0.0000 M SBV 3 67 0.2621 0.0000 M SCL 3 AA M SAP 3 2 55 50 Al 64 68 Br M SAL 4 7 102 104 105 106 107 108 109 M SBL 4 2 101 111 M SMT 4 Thr M SCL 4 AA M SAP 4 2 107 0 Al 102 100 Br M SAL 5 5 53 58 59 62 63 M SBL 5 2 52 66 M SMT 5 Ala M SBV 5 66 -0.2552 0.0000 M SBV 5 52 0.2621 0.0000 M SCL 5 AA M SAP 5 2 62 67 Al 53 48 Br M SAL 6 8 81 86 87 92 93 95 98 99 M SBL 6 2 80 93 M SMT 6 Leu M SBV 6 93 -0.2552 0.0000 M SBV 6 80 0.2621 0.0000 M SCL 6 AA M SAP 6 2 92 94 Al 81 75 Br M SAL 7 8 24 29 30 33 34 38 39 45 M SBL 7 2 23 36 M SMT 7 Ile M SBV 7 36 -0.2552 0.0000 M SBV 7 23 0.2621 0.0000 M SCL 7 AA M SAP 7 2 33 37 Al 24 20 Br M SAL 8 8 27 32 35 36 41 42 47 52 M SBL 8 2 26 39 M SMT 8 Met M SBV 8 26 12.2276 0.7690 M SBV 8 39 0.2621 0.0000 M SCL 8 AA M SAP 8 2 27 22 Al 35 40 Br M SAL 9 5 15 19 22 23 28 M SBL 9 2 14 26 M SMT 9 Ala M SBV 9 14 -0.2621 0.0000 M SBV 9 26 -12.2276 -0.7690 M SCL 9 AA M SAP 9 2 15 12 Al 22 27 Br M SAL 10 8 68 73 77 78 83 85 90 91 M SBL 10 2 67 83 M SMT 10 Asn M SBV 10 67 -0.2621 0.0000 M SBV 10 83 0.1724 0.0069 M SCL 10 AA M SAP 10 2 68 64 Al 78 84 Br M SAL 11 6 94 96 97 100 101 103 M SBL 11 2 93 101 M SMT 11 Ser M SBV 11 101 -0.2621 0.0000 M SBV 11 93 0.2552 0.0000 M SCL 11 AA M SAP 11 2 100 102 Al 94 92 Br M SAL 12 6 37 43 44 48 49 54 M SBL 12 2 36 52 M SMT 12 Ser M SBV 12 52 -0.2621 0.0000 M SBV 12 36 0.2552 0.0000 M SCL 12 AA M SAP 12 2 48 53 Al 37 33 Br M SAL 13 8 14 17 18 20 21 25 26 31 M SBL 13 2 13 23 M SMT 13 Ile M SBV 13 23 -0.2621 0.0000 M SBV 13 13 0.2552 0.0000 M SCL 13 AA M SAP 13 2 20 24 Al 14 11 Br M SAL 14 8 67 71 72 75 76 82 88 89 M SBL 14 2 66 80 M SMT 14 Asp M SBV 14 80 -0.2621 0.0000 M SBV 14 66 0.2552 0.0000 M SCL 14 AA M SAP 14 2 75 81 Al 67 62 Br M SAL 15 1 84 M SBL 15 1 83 M SMT 15 OH M SBV 15 83 -0.1724 -0.0069 M SCL 15 LGRP M SAL 16 1 110 M SBL 16 1 111 M SMT 16 NH2 M END $$$$