D0PV4H 07051100352D 1 1.00000 0.00000 0 72 76 0 1 0 999 V2000 -2.4517 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4517 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9103 0.0966 0.0000 C 0 0 2 0 0 0 0 0 0 -2.9966 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9931 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9103 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3690 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9103 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5379 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9966 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5379 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9931 1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3690 1.0379 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3724 -0.8448 0.0000 C 0 0 1 0 0 0 0 0 0 -4.0793 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0793 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2034 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7414 1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8310 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3724 -1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6241 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0793 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6207 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0793 1.9724 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6034 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6483 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2862 -0.8448 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8310 -1.7862 0.0000 C 0 0 2 0 0 0 0 0 0 -5.1621 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1655 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1586 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0.2621 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2862 -1.4759 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8310 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -5.7069 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1621 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -5.7069 1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0.6138 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0.2621 -1.7931 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6241 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 1.0828 -0.8448 0.0000 C 0 0 1 0 0 0 0 0 0 0.6103 0.0448 0.0000 O 0 0 0 0 0 0 0 0 0 1.5345 -0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 1.0828 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 1.7621 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0.5897 -1.7034 0.0000 C 0 0 3 0 0 0 0 0 0 2.2345 -0.2000 0.0000 C 0 0 1 0 0 0 0 0 0 1.7586 -1.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0.5897 -2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0.0966 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 2.6828 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0 2.2345 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 2.9103 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 1.7414 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 3.3828 -0.8448 0.0000 C 0 0 1 0 0 0 0 0 0 2.9069 0.0448 0.0000 O 0 0 0 0 0 0 0 0 0 1.2483 0.3724 0.0000 N 0 0 0 0 0 0 0 0 0 1.7414 1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 3.8310 -0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 3.3828 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 4.0586 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 4.5310 -0.2000 0.0000 C 0 0 1 0 0 0 0 0 0 4.0552 -1.0897 0.0000 O 0 0 0 0 0 0 0 0 0 4.9793 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0 4.5310 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 4.8621 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 5.5448 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 4.5172 0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 5.8862 0.6621 0.0000 C 0 0 3 0 0 0 0 0 0 6.5690 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 5.5448 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 6.0621 0.0034 0.0000 C 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 3 7 1 0 0 0 3 8 1 6 0 0 4 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 14 8 1 1 0 0 9 15 1 0 0 0 11 16 1 0 0 0 13 17 1 1 0 0 13 18 1 0 0 0 14 19 1 0 0 0 14 20 1 0 0 0 15 21 1 0 0 0 15 22 2 0 0 0 16 23 1 0 0 0 16 24 2 0 0 0 17 25 1 0 0 0 17 26 2 0 0 0 19 27 1 0 0 0 20 28 1 0 0 0 21 29 1 0 0 0 23 30 1 0 0 0 25 31 1 0 0 0 27 32 1 6 0 0 27 33 1 0 0 0 28 34 1 6 0 0 29 35 2 0 0 0 29 36 1 0 0 0 30 37 2 0 0 0 32 38 1 0 0 0 33 39 1 6 0 0 36 40 1 0 0 0 38 41 1 0 0 0 38 42 2 0 0 0 41 43 1 0 0 0 41 44 1 1 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 47 1 0 0 0 45 48 2 0 0 0 46 49 1 0 0 0 46 50 1 0 0 0 47 51 1 0 0 0 47 52 1 6 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 53 56 2 0 0 0 54 57 1 0 0 0 54 58 2 0 0 0 55 59 1 0 0 0 55 60 1 1 0 0 59 61 1 0 0 0 61 62 1 0 0 0 61 63 2 0 0 0 62 64 1 0 0 0 62 65 1 6 0 0 64 66 1 0 0 0 66 67 1 0 0 0 66 68 2 0 0 0 67 69 1 0 0 0 69 70 1 0 0 0 69 71 1 0 0 0 69 72 1 0 0 0 7 13 1 0 0 0 9 11 2 0 0 0 21 23 2 0 0 0 28 33 1 0 0 0 35 37 1 0 0 0 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 5 61 62 63 64 65 M SBL 1 2 60 65 M SMT 1 Ala M SBV 1 60 -0.2276 0.0000 M SBV 1 65 -0.1138 0.6000 M SCL 1 AA M SAP 1 2 61 59 Br 64 0 Al M SAL 2 5 53 55 56 59 60 M SBL 2 2 52 60 M SMT 2 Ala M SBV 2 60 0.2276 0.0000 M SBV 2 52 -0.2276 0.0000 M SCL 2 AA M SAP 2 2 59 61 Al 53 51 Br M SAL 3 8 45 47 48 51 52 54 57 58 M SBL 3 2 44 52 M SMT 3 Asn M SBV 3 52 0.2276 0.0000 M SBV 3 44 -0.2276 0.0000 M SCL 3 AA M SAP 3 2 51 53 Al 45 43 Br M SAL 4 8 38 41 42 43 44 46 49 50 M SBL 4 2 37 44 M SMT 4 Leu M SBV 4 44 0.2276 0.0000 M SBV 4 37 -0.3483 0.0000 M SCL 4 AA M SAP 4 2 43 45 Al 38 0 Br M END $$$$