D05ZDJ 06200800222D 1 1.00000 0.00000 0 52 51 0 1 0 999 V2000 0.8885 -1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 1.3759 -1.7133 0.0000 C 0 0 2 0 0 0 0 0 0 1.8932 -0.7475 0.0000 O 0 0 0 0 0 0 0 0 0 1.8904 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 1.3762 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 1.9134 -2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 1.9137 -3.2598 0.0000 O 0 0 0 0 0 0 0 0 0 2.4502 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3490 -1.3691 0.0000 N 0 0 0 0 0 0 0 0 0 -4.8616 -1.0117 0.0000 C 0 0 2 0 0 0 0 0 0 -4.3443 -1.9775 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3471 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8613 -0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3241 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3238 0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7909 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8607 0.8392 0.0000 O 0 0 0 0 0 0 0 0 0 -4.1031 -1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6116 -1.7133 0.0000 C 0 0 2 0 0 0 0 0 0 -3.0984 -0.7475 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1012 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6113 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0783 -2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0780 -3.2598 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5409 -3.5679 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6107 -3.5684 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6073 -1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1200 -1.7133 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6026 -0.7475 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6054 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1197 -2.3351 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5825 -2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6524 -2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6583 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8531 -1.3691 0.0000 N 0 0 0 0 0 0 0 0 0 -2.3658 -1.0117 0.0000 C 0 0 2 0 0 0 0 0 0 -1.8484 -1.9775 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8512 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3655 -0.3941 0.0000 C 0 0 1 0 0 0 0 0 0 -1.8283 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9024 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9083 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3573 -1.3691 0.0000 N 0 0 0 0 0 0 0 0 0 0.1300 -1.0117 0.0000 C 0 0 2 0 0 0 0 0 0 0.6474 -1.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0.6446 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0.1303 -0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0.6675 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0.6678 0.5306 0.0000 S 0 0 0 0 0 0 0 0 0 1.2008 0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 2.0666 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -5.5334 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 18 19 1 0 0 0 19 21 1 0 0 0 21 20 2 0 0 0 19 22 1 6 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 4 51 1 0 0 0 12 18 1 0 0 0 21 35 1 0 0 0 38 27 1 0 0 0 30 43 1 0 0 0 46 1 1 0 0 0 27 28 1 0 0 0 28 30 1 6 0 0 30 29 2 0 0 0 28 31 1 0 0 0 31 32 1 1 0 0 31 33 1 0 0 0 33 34 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 9 10 1 0 0 0 10 12 1 0 0 0 12 11 2 0 0 0 10 13 1 1 0 0 13 14 1 0 0 0 38 37 2 0 0 0 36 39 1 0 0 0 39 40 1 6 0 0 39 41 1 0 0 0 41 42 1 0 0 0 35 36 1 0 0 0 36 38 1 1 0 0 1 2 1 0 0 0 2 4 1 0 0 0 4 3 2 0 0 0 2 5 1 6 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 43 44 1 0 0 0 44 46 1 0 0 0 46 45 2 0 0 0 44 47 1 1 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 9 52 1 0 0 0 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 4 4 5 5 6 6 7 7 8 8 9 M SAL 1 9 18 19 20 21 22 23 24 25 26 M SBL 1 2 10 11 M SMT 1 Glu M SBV 1 10 -0.2400 0.0000 M SBV 1 11 0.2500 0.0000 M SCL 1 AA M SAP 1 2 18 12 Al 21 35 Br M SAL 2 9 9 10 11 12 13 14 15 16 17 M SBL 2 2 10 51 M SMT 2 Glu M SBV 2 10 0.2400 0.0000 M SCL 2 AA M SAP 2 2 9 0 Al 12 18 Br M SAL 3 8 35 36 37 38 39 40 41 42 M SBL 3 2 11 12 M SMT 3 Ile M SBV 3 11 -0.2500 0.0000 M SBV 3 12 0.2500 0.0000 M SCL 3 AA M SAP 3 2 35 21 Al 38 27 Br M SAL 4 8 27 28 29 30 31 32 33 34 M SBL 4 2 12 13 M SMT 4 Ile M SBV 4 12 -0.2500 0.0000 M SBV 4 13 0.2500 0.0000 M SCL 4 AA M SAP 4 2 27 38 Al 30 43 Br M SAL 5 8 1 2 3 4 5 6 7 8 M SBL 5 2 9 14 M SMT 5 Asp M SBV 5 14 -0.2400 0.0000 M SBV 5 9 0.1800 0.0100 M SCL 5 AA M SAP 5 2 1 46 Al 4 51 Br M SAL 6 8 43 44 45 46 47 48 49 50 M SBL 6 2 13 14 M SMT 6 Met M SBV 6 13 -0.2500 0.0000 M SBV 6 14 0.2400 0.0000 M SCL 6 AA M SAP 6 2 43 30 Al 46 1 Br M SAL 7 1 51 M SBL 7 1 9 M SMT 7 OH M SBV 7 9 -0.1800 -0.0100 M SCL 7 LGRP M SAL 8 1 52 M SBL 8 1 51 M SMT 8 NH2 M END $$$$