D0Q0HZ 06231000262D 1 1.00000 0.00000 0 77 78 0 1 0 999 V2000 -3.7281 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5450 -1.2700 0.0000 C 0 0 2 0 0 0 0 0 0 -3.3526 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3554 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5447 -1.0316 0.0000 C 0 0 3 0 0 0 0 0 0 -3.3491 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7441 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0.3426 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 0.5216 -1.2700 0.0000 C 0 0 2 0 0 0 0 0 0 0.7141 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0.7155 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0.5219 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0.7216 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0.7219 -0.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0.9169 -1.0321 0.0000 N 0 0 0 0 0 0 0 0 0 -4.7448 -1.3976 0.0000 N 0 0 0 0 0 0 0 0 0 -4.5616 -1.5300 0.0000 C 0 0 2 0 0 0 0 0 0 -4.3734 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3721 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5613 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3625 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3625 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1629 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9676 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9676 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1629 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.3760 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 2.5550 -1.2700 0.0000 C 0 0 2 0 0 0 0 0 0 2.7474 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 2.7488 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 2.5553 -1.0316 0.0000 C 0 0 1 0 0 0 0 0 0 2.7550 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 2.3560 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 2.3583 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1804 -0.5717 0.0000 N 0 0 0 0 0 0 0 0 0 -5.1770 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3712 -0.2119 0.0000 N 0 0 0 0 0 0 0 0 0 -4.9771 -0.2286 0.0000 N 0 0 0 0 0 0 0 0 0 -5.7615 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 -5.5784 -1.2700 0.0000 C 0 0 2 0 0 0 0 0 0 -5.3859 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3887 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 -5.5781 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3784 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3781 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7115 -1.3976 0.0000 N 0 0 3 0 0 0 0 0 0 -2.5283 -1.5300 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3359 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3387 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5292 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8893 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7757 -1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6740 -1.3976 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4950 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3026 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3012 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6907 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 -1.5117 -1.2700 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3192 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3179 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5114 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3117 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3114 -0.6818 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1165 -1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 1.9363 -2.2283 0.0000 N 0 0 0 0 0 0 0 0 0 1.9354 -2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 1.7455 -2.5882 0.0000 N 0 0 0 0 0 0 0 0 0 2.1395 -2.5755 0.0000 N 0 0 0 0 0 0 0 0 0 1.3552 -1.3976 0.0000 N 0 0 0 0 0 0 0 0 0 1.5384 -1.5300 0.0000 C 0 0 2 0 0 0 0 0 0 1.7307 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 1.7279 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 1.5387 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 1.7342 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 1.7345 -2.1181 0.0000 C 0 0 0 0 0 0 0 0 0 2.8125 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -5.8292 -1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 31 32 1 6 0 0 31 33 1 0 0 0 33 34 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 10 2 0 0 0 9 12 1 1 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 19 1 1 0 0 0 4 46 1 0 0 0 45 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 2 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 43 44 1 0 0 0 44 45 1 0 0 0 49 57 1 0 0 0 1 2 1 0 0 0 2 4 1 0 0 0 4 3 2 0 0 0 2 5 1 1 0 0 5 6 1 0 0 0 5 7 1 0 0 0 47 49 1 6 0 0 49 48 2 0 0 0 47 50 1 0 0 0 51 52 1 0 0 0 52 50 1 0 0 0 51 46 1 0 0 0 46 47 1 0 0 0 16 17 1 0 0 0 17 19 1 0 0 0 19 18 2 0 0 0 53 54 1 0 0 0 54 56 1 0 0 0 56 55 2 0 0 0 17 20 1 6 0 0 20 22 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 57 58 1 0 0 0 58 60 1 0 0 0 60 59 2 0 0 0 58 61 1 1 0 0 61 62 1 0 0 0 62 63 2 0 0 0 62 64 1 0 0 0 60 53 1 0 0 0 56 8 1 0 0 0 11 69 1 0 0 0 72 27 1 0 0 0 30 76 1 0 0 0 42 16 1 0 0 0 27 28 1 0 0 0 28 30 1 1 0 0 30 29 2 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 66 68 2 0 0 0 69 70 1 0 0 0 70 72 1 0 0 0 72 71 2 0 0 0 70 73 1 6 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 65 1 0 0 0 28 31 1 0 0 0 39 77 1 0 0 0 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 3 9 SUP 10 SUP 11 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 9 M SLB 3 9 10 10 11 11 12 M SAL 1 11 16 17 18 19 20 21 22 23 24 25 26 M SBL 1 2 11 63 M SMT 1 Phe M SBV 1 63 -0.6500 0.0000 M SBV 1 11 0.6500 0.0000 M SCL 1 AA M SAP 1 2 16 42 Al 19 1 Br M SAL 2 8 27 28 29 30 31 32 33 34 M SBL 2 2 61 62 M SMT 2 Ile M SBV 2 61 -0.6500 0.0000 M SBV 2 62 0.0700 -0.0100 M SCL 2 AA M SAP 2 2 27 72 Al 30 76 Br M SAL 3 7 46 47 48 49 50 51 52 M SBL 3 2 12 23 M SMT 3 Pro M SBV 3 12 -0.6400 0.0000 M SBV 3 23 0.6500 0.0000 M SCL 3 AA M SAP 3 2 46 4 Al 49 57 Br M SAL 4 7 1 2 3 4 5 6 7 M SBL 4 2 11 12 M SMT 4 Val M SBV 4 11 -0.6500 0.0000 M SBV 4 12 0.6400 0.0000 M SCL 4 AA M SAP 4 2 1 19 Al 4 46 Br M SAL 5 11 35 36 37 38 39 40 41 42 43 44 45 M SBL 5 2 63 78 M SMT 5 Arg M SBV 5 63 0.6500 0.0000 M SCL 5 AA M SAP 5 2 39 0 Al 42 16 Br M SAL 6 4 53 54 55 56 M SBL 6 2 58 59 M SMT 6 Gly M SBV 6 58 -0.6500 0.0000 M SBV 6 59 0.6500 0.0000 M SCL 6 AA M SAP 6 2 53 60 Al 56 8 Br M SAL 7 8 8 9 10 11 12 13 14 15 M SBL 7 2 59 60 M SMT 7 Asn M SBV 7 59 -0.6500 0.0000 M SBV 7 60 0.6400 0.0000 M SCL 7 AA M SAP 7 2 8 56 Al 11 69 Br M SAL 8 11 65 66 67 68 69 70 71 72 73 74 75 M SBL 8 2 60 61 M SMT 8 Arg M SBV 8 60 -0.6400 0.0000 M SBV 8 61 0.6500 0.0000 M SCL 8 AA M SAP 8 2 69 11 Al 72 27 Br M SAL 9 8 57 58 59 60 61 62 63 64 M SBL 9 2 23 58 M SMT 9 Asp M SBV 9 23 -0.6500 0.0000 M SBV 9 58 0.6500 0.0000 M SCL 9 AA M SAP 9 2 57 49 Al 60 53 Br M SAL 10 1 76 M SBL 10 1 62 M SMT 10 OH M SBV 10 62 -0.0700 0.0100 M SCL 10 LGRP M SAL 11 1 77 M SBL 11 1 78 M SMT 11 NH2 M END $$$$