D0L1KX 10130900432D 1 1.00000 0.00000 0 50 52 0 1 0 999 V2000 1.0292 -2.4292 0.0000 N 0 0 0 0 0 0 0 0 0 1.6042 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5996 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 2.1722 -1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 2.1680 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 1.5923 -0.1140 0.0000 N 0 0 0 0 0 0 0 0 0 1.0195 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 1.0273 -1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0.7405 -4.5382 0.0000 N 0 0 0 0 0 0 0 0 0 0.7174 -5.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0.1933 -5.4539 0.0000 N 0 0 0 0 0 0 0 0 0 1.2340 -5.4618 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7740 -2.4108 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2992 -2.7575 0.0000 C 0 0 1 0 0 0 0 0 0 0.2015 -1.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0.1987 -2.4202 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2989 -3.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0.2217 -3.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0.2220 -4.2611 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4115 -2.4149 0.0000 N 0 0 0 0 0 0 0 0 0 -4.9367 -2.0700 0.0000 C 0 0 1 0 0 0 0 0 0 -4.4360 -3.0108 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4388 -2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9364 -1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4166 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4166 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8963 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3760 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3760 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8963 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3199 -2.4149 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8450 -2.0700 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3442 -3.0108 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8447 -1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3470 -2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3240 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3237 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7987 -0.2553 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8656 -2.4059 0.0000 N 0 0 0 0 0 0 0 0 0 -3.3908 -2.7509 0.0000 C 0 0 1 0 0 0 0 0 0 -2.8901 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8929 -2.4131 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3905 -3.3559 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8709 -4.2584 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8709 -3.6584 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3504 -3.3584 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8301 -3.6584 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8301 -4.2584 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3504 -4.5584 0.0000 C 0 0 0 0 0 0 0 0 0 -5.5875 -2.4250 0.0000 H 0 0 0 0 0 0 0 0 0 16 1 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 23 39 1 0 0 0 24 26 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 25 1 0 0 0 20 21 1 0 0 0 21 23 1 0 0 0 23 22 2 0 0 0 21 24 1 6 0 0 4 5 1 0 0 0 5 6 2 0 0 0 42 31 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 13 14 1 0 0 0 31 32 1 0 0 0 32 35 1 0 0 0 35 33 2 0 0 0 32 34 1 6 0 0 34 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 14 16 1 0 0 0 16 15 2 0 0 0 14 17 1 1 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 9 1 0 0 0 6 7 1 0 0 0 35 13 1 0 0 0 7 8 2 0 0 0 8 3 1 0 0 0 43 45 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 49 44 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 20 50 1 0 0 0 M STY 5 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP M SLB 5 1 1 2 2 3 3 4 5 5 6 M SAL 1 11 9 10 11 12 13 14 15 16 17 18 19 M SBL 1 2 1 38 M SMT 1 DArg M SBV 1 38 -0.5700 0.0000 M SBV 1 1 0.8300 -0.0100 M SCL 1 AA M SAP 1 2 13 35 Al 16 1 Br M SAL 2 8 31 32 33 34 35 36 37 38 M SBL 2 2 19 38 M SMT 2 DNle M SBV 2 19 -0.5700 0.0000 M SBV 2 38 0.5700 0.0000 M SCL 2 AA M SAP 2 2 31 42 Al 35 13 Br M SAL 3 11 20 21 22 23 24 25 26 27 28 29 30 M SBL 3 2 5 52 M SMT 3 DPhe M SBV 3 5 0.5800 0.0000 M SCL 3 AA M SAP 3 2 20 0 Al 23 39 Br M SAL 4 11 39 40 41 42 43 44 45 46 47 48 49 M SBL 4 2 5 19 M SMT 4 DPhe M SBV 4 5 -0.5800 0.0000 M SBV 4 19 0.5700 0.0000 M SCL 4 AA M SAP 4 2 39 23 Al 42 31 Br M SAL 5 1 50 M SBL 5 1 52 M SMT 5 NH2 M END $$$$