D0X2MZ 06030800062D 1 1.00000 0.00000 0 76 79 0 1 0 999 V2000 -0.5686 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 10.7417 -2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 4.3927 -2.4941 0.0000 N 0 0 0 0 0 0 0 0 0 5.0592 -2.0033 0.0000 C 0 0 2 0 0 0 0 0 0 5.7432 -3.2901 0.0000 O 0 0 0 0 0 0 0 0 0 5.7445 -2.4660 0.0000 C 0 0 0 0 0 0 0 0 0 5.0595 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 6.4912 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2157 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 7.2157 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 6.4912 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.9360 0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 6.4912 1.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.6112 -0.9217 0.0000 N 0 0 0 0 0 0 0 0 0 1.6147 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 1.2413 -0.2452 0.0000 N 0 0 0 0 0 0 0 0 0 1.9978 -0.2744 0.0000 N 0 0 0 0 0 0 0 0 0 0.5093 -2.4816 0.0000 N 0 0 0 0 0 0 0 0 0 0.8550 -2.2241 0.0000 C 0 0 2 0 0 0 0 0 0 1.2182 -2.9109 0.0000 O 0 0 0 0 0 0 0 0 0 1.2196 -2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0.8553 -1.7858 0.0000 C 0 0 0 0 0 0 0 0 0 1.2342 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 1.2345 -1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 10.6654 -4.0200 0.0000 N 0 0 0 0 0 0 0 0 0 10.6688 -4.4654 0.0000 C 0 0 0 0 0 0 0 0 0 10.2996 -4.7007 0.0000 N 0 0 0 0 0 0 0 0 0 11.0561 -4.6714 0.0000 N 0 0 0 0 0 0 0 0 0 9.5635 -2.4642 0.0000 N 0 0 0 0 0 0 0 0 0 9.9091 -2.7175 0.0000 C 0 0 2 0 0 0 0 0 0 10.2724 -2.0309 0.0000 O 0 0 0 0 0 0 0 0 0 10.2738 -2.4755 0.0000 C 0 0 0 0 0 0 0 0 0 9.9094 -3.1601 0.0000 C 0 0 0 0 0 0 0 0 0 10.2884 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 10.2887 -3.8140 0.0000 C 0 0 0 0 0 0 0 0 0 2.1843 -2.4725 0.0000 N 0 0 0 0 0 0 0 0 0 2.5342 -2.7258 0.0000 C 0 0 2 0 0 0 0 0 0 2.8974 -2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 2.8946 -2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 2.5345 -3.1684 0.0000 C 0 0 0 0 0 0 0 0 0 2.9084 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9084 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.2912 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6657 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.6657 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.2912 -4.0416 0.0000 C 0 0 0 0 0 0 0 0 0 4.0486 -4.0416 0.0000 O 0 0 0 0 0 0 0 0 0 7.3154 -4.0200 0.0000 N 0 0 0 0 0 0 0 0 0 7.3230 -4.4654 0.0000 C 0 0 0 0 0 0 0 0 0 6.9496 -4.7007 0.0000 N 0 0 0 0 0 0 0 0 0 7.7102 -4.6714 0.0000 N 0 0 0 0 0 0 0 0 0 6.2134 -2.4642 0.0000 N 0 0 0 0 0 0 0 0 0 6.5591 -2.7175 0.0000 C 0 0 2 0 0 0 0 0 0 6.9265 -2.0309 0.0000 O 0 0 0 0 0 0 0 0 0 6.9237 -2.4755 0.0000 C 0 0 0 0 0 0 0 0 0 6.5594 -3.1601 0.0000 C 0 0 0 0 0 0 0 0 0 6.9383 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 6.9386 -3.8140 0.0000 C 0 0 0 0 0 0 0 0 0 7.8927 -2.4733 0.0000 N 0 0 0 0 0 0 0 0 0 8.2341 -2.2158 0.0000 C 0 0 2 0 0 0 0 0 0 8.6016 -2.9026 0.0000 O 0 0 0 0 0 0 0 0 0 8.5988 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 8.2344 -1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 9.0351 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 8.6125 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 9.2664 -1.2787 0.0000 N 0 0 0 0 0 0 0 0 0 8.5712 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 8.9778 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 9.0308 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 8.6813 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 8.2788 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 8.2258 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 33 34 1 0 0 0 34 36 1 0 0 0 36 35 2 0 0 0 34 37 1 6 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 29 1 0 0 0 8 7 2 0 0 0 6 9 1 1 0 0 25 40 1 0 0 0 22 2 1 0 0 0 43 5 1 0 0 0 8 56 1 0 0 0 59 63 1 0 0 0 66 33 1 0 0 0 36 4 1 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 45 46 2 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 45 1 0 0 0 49 51 1 0 0 0 40 41 1 0 0 0 41 43 1 0 0 0 43 42 2 0 0 0 41 44 1 6 0 0 44 46 1 0 0 0 27 28 1 0 0 0 28 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 22 23 1 0 0 0 23 25 1 0 0 0 25 24 2 0 0 0 23 26 1 1 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 53 55 2 0 0 0 56 57 1 0 0 0 57 59 1 0 0 0 59 58 2 0 0 0 57 60 1 6 0 0 26 27 1 0 0 0 9 11 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 5 6 1 0 0 0 6 8 1 0 0 0 29 30 1 0 0 0 63 64 1 0 0 0 64 66 1 0 0 0 66 65 2 0 0 0 64 67 1 1 0 0 67 69 1 0 0 0 68 69 2 0 0 0 69 71 1 0 0 0 70 68 1 0 0 0 72 70 1 0 0 0 71 72 2 0 0 0 72 73 1 0 0 0 73 74 2 0 0 0 74 75 1 0 0 0 75 76 2 0 0 0 76 71 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 SDS EXP 1 2 M SAL 1 11 18 19 20 21 22 23 24 25 26 27 28 M SBL 1 2 12 13 M SMT 1 Arg M SBV 1 13 -0.3500 0.4200 M SBV 1 12 0.9700 -0.0100 M SCL 1 AA M SAP 1 2 22 2 Al 25 40 Br M SAL 2 13 5 6 7 8 9 10 11 12 13 14 15 16 17 M SBL 2 2 14 15 M SMT 2 Tyr* M SDI 2 4 3.7600 -2.6700 3.7700 -2.2900 M SDI 2 4 6.0100 -2.2700 6.0100 -2.6500 M SBV 2 14 -1.5000 0.0100 M SBV 2 15 0.4700 0.0000 M SCL 2 AA M SAP 2 2 5 43 Al 8 56 Br M SAL 3 11 29 30 31 32 33 34 35 36 37 38 39 M SBL 3 2 17 18 M SMT 3 Arg M SBV 3 17 -0.9700 0.0100 M SBV 3 18 0.4700 0.0400 M SCL 3 AA M SAP 3 2 33 66 Al 36 4 Br M SAL 4 12 40 41 42 43 44 45 46 47 48 49 50 51 M SBL 4 2 12 14 M SMT 4 Tyr M SBV 4 12 -0.9700 0.0100 M SBV 4 14 1.5000 -0.0100 M SCL 4 AA M SAP 4 2 40 25 Al 43 5 Br M SAL 5 11 52 53 54 55 56 57 58 59 60 61 62 M SBL 5 2 15 16 M SMT 5 Arg M SBV 5 15 -0.4700 0.0000 M SBV 5 16 0.9700 0.0000 M SCL 5 AA M SAP 5 2 56 8 Al 59 63 Br M SAL 6 14 63 64 65 66 67 68 69 70 71 72 73 74 75 76 M SBL 6 2 16 17 M SMT 6 Trp M SBV 6 16 -0.9700 0.0000 M SBV 6 17 0.9700 -0.0100 M SCL 6 AA M SAP 6 2 63 59 Al 66 33 Br M END $$$$