D08GKD 06220600572D 1 1.00000 0.00000 0 76 78 0 1 0 999 V2000 13.1009 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 13.0836 -4.6579 0.0000 C 0 0 0 0 0 0 0 0 0 13.8084 -3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 13.7818 -5.0788 0.0000 C 0 0 0 0 0 0 0 0 0 14.5177 -3.8478 0.0000 C 0 0 0 0 0 0 0 0 0 14.5198 -4.6800 0.0000 C 0 0 0 0 0 0 0 0 0 15.2289 -5.1088 0.0000 C 0 0 0 0 0 0 0 0 0 15.2041 -5.9405 0.0000 C 0 0 0 0 0 0 0 0 0 15.9099 -6.3615 0.0000 N 0 0 0 0 0 0 0 0 0 14.4856 -6.3320 0.0000 O 0 0 0 0 0 0 0 0 0 12.5542 -3.2083 0.0000 N 0 0 0 0 0 0 0 0 0 7.8875 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.4614 -3.2094 0.0000 N 0 0 3 0 0 0 0 0 0 5.7987 -3.7062 0.0000 C 0 0 0 0 0 0 0 0 0 6.1985 -2.4218 0.0000 C 0 0 0 0 0 0 0 0 0 5.1212 -3.2236 0.0000 C 0 0 1 0 0 0 0 0 0 5.8000 -4.5230 0.0000 O 0 0 0 0 0 0 0 0 0 5.3707 -2.4309 0.0000 C 0 0 0 0 0 0 0 0 0 4.2724 -3.3547 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6984 -3.3751 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1065 -2.6589 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1152 -4.0871 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9401 -4.0822 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3569 -4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1819 -4.7893 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5986 -5.5014 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4234 -5.4938 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8400 -6.2050 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4317 -6.9229 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6024 -6.9252 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1895 -6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 7.1797 -3.6151 0.0000 C 0 0 1 0 0 0 0 0 0 7.1875 -4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 7.8825 -2.3710 0.0000 O 0 0 0 0 0 0 0 0 0 11.5029 -0.5551 0.0000 N 0 0 0 0 0 0 0 0 0 11.5105 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 10.8746 0.6090 0.0000 N 0 0 0 0 0 0 0 0 0 12.1728 0.5631 0.0000 N 0 0 0 0 0 0 0 0 0 9.6135 -3.2191 0.0000 N 0 0 0 0 0 0 0 0 0 10.2050 -2.7867 0.0000 C 0 0 2 0 0 0 0 0 0 10.8307 -3.9608 0.0000 O 0 0 0 0 0 0 0 0 0 10.8279 -3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 10.2053 -2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 10.8550 -1.6569 0.0000 C 0 0 0 0 0 0 0 0 0 10.8553 -0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 2.9253 -0.7218 0.0000 N 0 0 0 0 0 0 0 0 0 2.9329 0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 2.2970 0.4422 0.0000 N 0 0 0 0 0 0 0 0 0 3.5953 0.3963 0.0000 N 0 0 0 0 0 0 0 0 0 1.0359 -3.3859 0.0000 N 0 0 0 0 0 0 0 0 0 1.6274 -2.9534 0.0000 C 0 0 2 0 0 0 0 0 0 2.2531 -4.1276 0.0000 O 0 0 0 0 0 0 0 0 0 2.2503 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 1.6277 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 2.2774 -1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 2.2777 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4766 -3.3859 0.0000 N 0 0 0 0 0 0 0 0 0 0.1149 -2.9534 0.0000 C 0 0 1 0 0 0 0 0 0 0.7406 -4.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0.1152 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0.7378 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 8.1010 -3.2101 0.0000 N 0 0 0 0 0 0 0 0 0 8.6925 -3.6425 0.0000 C 0 0 1 0 0 0 0 0 0 9.3182 -2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 8.6928 -4.3976 0.0000 C 0 0 0 0 0 0 0 0 0 9.3154 -3.2214 0.0000 C 0 0 0 0 0 0 0 0 0 11.1260 -3.2101 0.0000 N 0 0 0 0 0 0 0 0 0 11.7175 -3.6425 0.0000 C 0 0 1 0 0 0 0 0 0 12.3432 -2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 11.7178 -4.3976 0.0000 C 0 0 0 0 0 0 0 0 0 12.3404 -3.2214 0.0000 C 0 0 0 0 0 0 0 0 0 2.5484 -3.3727 0.0000 N 0 0 0 0 0 0 0 0 0 3.1399 -3.8051 0.0000 C 0 0 1 0 0 0 0 0 0 3.7656 -2.6310 0.0000 O 0 0 0 0 0 0 0 0 0 3.1402 -4.5602 0.0000 C 0 0 0 0 0 0 0 0 0 3.7628 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 12 34 2 0 0 0 3 5 2 0 0 0 4 6 2 0 0 0 35 36 1 0 0 0 6 7 1 0 0 0 36 37 1 0 0 0 7 8 1 0 0 0 36 38 2 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 39 40 1 0 0 0 40 42 1 0 0 0 42 41 2 0 0 0 40 43 1 1 0 0 14 17 2 0 0 0 15 18 1 0 0 0 16 19 1 6 0 0 43 44 1 0 0 0 16 18 1 0 0 0 44 45 1 0 0 0 45 35 1 0 0 0 76 19 1 0 0 0 57 20 1 0 0 0 46 47 1 0 0 0 8 9 1 0 0 0 47 48 1 0 0 0 8 10 2 0 0 0 47 49 2 0 0 0 20 21 2 0 0 0 5 6 1 0 0 0 20 22 1 0 0 0 50 51 1 0 0 0 51 53 1 0 0 0 53 52 2 0 0 0 51 54 1 1 0 0 66 39 1 0 0 0 22 23 1 0 0 0 42 67 1 0 0 0 54 55 1 0 0 0 23 24 1 0 0 0 55 56 1 0 0 0 56 46 1 0 0 0 71 11 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 57 58 1 0 0 0 58 61 1 0 0 0 61 59 2 0 0 0 58 60 1 1 0 0 11 1 1 0 0 0 26 27 2 0 0 0 62 12 1 0 0 0 27 28 1 0 0 0 62 63 1 0 0 0 63 66 1 0 0 0 66 64 2 0 0 0 63 65 1 6 0 0 28 29 2 0 0 0 53 72 1 0 0 0 29 30 1 0 0 0 61 50 1 0 0 0 30 31 2 0 0 0 67 68 1 0 0 0 68 71 1 0 0 0 71 69 2 0 0 0 68 70 1 6 0 0 31 26 1 0 0 0 1 2 2 0 0 0 13 32 1 0 0 0 1 3 1 0 0 0 32 33 1 6 0 0 72 73 1 0 0 0 73 76 1 0 0 0 76 74 2 0 0 0 73 75 1 6 0 0 32 12 1 0 0 0 M STY 6 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP M SLB 6 1 1 2 2 3 3 4 4 5 5 6 6 M SAL 1 5 62 63 64 65 66 M SBL 1 2 38 54 M SMT 1 Ala M SBV 1 38 0.3000 0.0100 M SBV 1 54 -0.2200 0.0100 M SCL 1 AA M SAP 1 2 66 39 Br 62 12 Al M SAL 2 5 57 58 59 60 61 M SBL 2 2 25 63 M SMT 2 Ala M SBV 2 63 0.3000 -0.0100 M SBV 2 25 -0.2200 0.0100 M SCL 2 AA M SAP 2 2 61 50 Br 57 20 Al M SAL 3 11 35 36 37 38 39 40 41 42 43 44 45 M SBL 3 2 38 40 M SMT 3 Arg M SBV 3 38 -0.3000 -0.0100 M SBV 3 40 0.3000 0.0000 M SCL 3 AA M SAP 3 2 39 66 Al 42 67 Br M SAL 4 11 46 47 48 49 50 51 52 53 54 55 56 M SBL 4 2 61 63 M SMT 4 Arg M SBV 4 61 0.2900 0.0000 M SBV 4 63 -0.3000 0.0100 M SCL 4 AA M SAP 4 2 53 72 Br 50 61 Al M SAL 5 5 67 68 69 70 71 M SBL 5 2 40 45 M SMT 5 Ala M SBV 5 40 -0.3000 0.0000 M SBV 5 45 0.2200 0.0200 M SCL 5 AA M SAP 5 2 67 42 Al 71 11 Br M SAL 6 5 72 73 74 75 76 M SBL 6 2 24 61 M SMT 6 Ala M SBV 6 61 -0.2900 0.0000 M SBV 6 24 0.5100 0.0300 M SCL 6 AA M SAP 6 2 72 53 Al 76 19 Br M END $$$$