USER MOD reduce.3.24.130724 H: found=0, std=0, add=65, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 67 hydrogens (67 hets) HEADER INHIBITOR 16-JUL-97 1AO2 TITLE COBALT(III)-DEGLYCOPEPLEOMYCIN DETERMINED BY NMR STUDIES COMPND MOL_ID: 1; COMPND 2 MOLECULE: AGLYCON OF PEPLOMYCIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS ANTICANCER DRUGS, DEGLYCOSYLATED PEPLEOMYCIN, PEPLOMYCIN, KEYWDS 2 BLEOMYCIN, DNA, TWO-DIMENSIONAL NMR, SOLUTION STRUCTURES, KEYWDS 3 INHIBITOR EXPDTA SOLUTION NMR AUTHOR J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO,A.H.-J.WANG REVDAT 4 24-FEB-09 1AO2 1 VERSN REVDAT 3 01-APR-03 1AO2 1 JRNL REVDAT 2 23-AUG-99 1AO2 1 COMPND REVDAT 1 30-JUL-99 1AO2 0 JRNL AUTH J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO, JRNL AUTH 2 A.H.WANG JRNL TITL STRUCTURES OF COBALT(III)-PEPLEOMYCIN AND JRNL TITL 2 COBALT(III)-DEGLYCOPEPLEOMYCIN (GREEN FORMS) JRNL TITL 3 DETERMINED BY NMR STUDIES. JRNL REF EUR.J.BIOCHEM. V. 244 818 1997 JRNL REFN ISSN 0014-2956 JRNL PMID 9108252 JRNL DOI 10.1111/J.1432-1033.1997.00818.X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1, SPEDREF REMARK 3 AUTHORS : A.T.BRUNGER (X-PLOR), (SPEDREF) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION REMARK 4 REMARK 4 1AO2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB001214. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275 REMARK 210 PH : 6.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 50MM SODIUM PHOSPHATE, 0.15 M REMARK 210 NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : VXR 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: METHOD USED TO DETERMINE THE STRUCTURE : NOE-RMD REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 3CO A 2 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 PMY A 1 NB REMARK 620 2 PMY A 1 NC 87.7 REMARK 620 3 PMY A 1 NG 90.3 85.4 REMARK 620 4 PMY A 1 NH 87.7 169.0 84.7 REMARK 620 5 PMY A 1 NJ 82.1 91.0 171.7 98.2 REMARK 620 6 PEO A 3 O1 176.5 90.3 86.7 93.8 100.8 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PMY A 1 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3CO A 2 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEO A 3 HET PMY A 1 143 HET 3CO A 2 1 HET PEO A 3 3 HETNAM PMY AGLYCON OF PEPLOMYCIN HETNAM 3CO COBALT (III) ION HETNAM PEO HYDROGEN PEROXIDE HETSYN PMY AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]- HETSYN 2 PMY PROPYL]BLEOMYCINAMIDE FORMUL 1 PMY C48 H67 N17 O10 S2 FORMUL 2 3CO CO 3+ FORMUL 3 PEO H2 O2 LINK CO 3CO A 2 NB PMY A 1 1555 1555 2.00 LINK CO 3CO A 2 NC PMY A 1 1555 1555 2.00 LINK CO 3CO A 2 NG PMY A 1 1555 1555 1.87 LINK CO 3CO A 2 NH PMY A 1 1555 1555 1.99 LINK CO 3CO A 2 NJ PMY A 1 1555 1555 2.07 LINK CO 3CO A 2 O1 PEO A 3 1555 1555 1.99 SITE *** AC1 2 3CO A 2 PEO A 3 SITE *** AC2 2 PMY A 1 PEO A 3 SITE *** AC3 2 PMY A 1 3CO A 2 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PMY HNH : A 1 PMY NH : A 2 3COCO :(H bumps) USER MOD NoAdj-H: A 1 PMY HB2 : A 1 PMY NB : A 2 3COCO :(H bumps) USER MOD Single : A 1 PMY OH1 : rot 172:sc= 0.571 USER MOD Single : A 1 PMY OH2 : rot 180:sc= -0.094 USER MOD Single : A 1 PMY OH3 : rot 180:sc= -0.765 USER MOD ----------------------------------------------------------------- HETATM 1 NA PMY A 1 9.787 -11.718 25.336 1.00 0.00 N HETATM 2 C1 PMY A 1 11.082 -11.541 25.037 1.00 0.00 C HETATM 3 O1 PMY A 1 11.969 -11.707 25.867 1.00 0.00 O HETATM 4 C2 PMY A 1 11.472 -11.125 23.613 1.00 0.00 C HETATM 5 NB PMY A 1 12.867 -10.624 23.515 1.00 0.00 N HETATM 6 C3 PMY A 1 11.531 -12.406 22.752 1.00 0.00 C HETATM 7 NC PMY A 1 11.907 -12.054 21.349 1.00 0.00 N HETATM 8 ND PMY A 1 8.048 -9.490 19.613 1.00 0.00 N HETATM 9 C4 PMY A 1 8.912 -10.456 19.299 1.00 0.00 C HETATM 10 O4 PMY A 1 9.243 -10.660 18.134 1.00 0.00 O HETATM 11 C5 PMY A 1 9.501 -11.320 20.418 1.00 0.00 C HETATM 12 C6 PMY A 1 11.068 -11.201 20.408 1.00 0.00 C HETATM 13 C7 PMY A 1 11.606 -9.780 20.355 1.00 0.00 C HETATM 14 NE PMY A 1 11.105 -8.714 19.661 1.00 0.00 N HETATM 15 C8 PMY A 1 11.788 -7.516 19.622 1.00 0.00 C HETATM 16 NG PMY A 1 12.762 -9.604 20.974 1.00 0.00 N HETATM 17 C10 PMY A 1 13.467 -8.473 20.962 1.00 0.00 C HETATM 18 C9 PMY A 1 12.999 -7.392 20.267 1.00 0.00 C HETATM 19 NF PMY A 1 11.206 -6.537 18.910 1.00 0.00 N HETATM 20 CA PMY A 1 13.817 -6.118 20.226 1.00 0.00 C HETATM 21 C12 PMY A 1 14.767 -8.596 21.632 1.00 0.00 C HETATM 22 O12 PMY A 1 15.522 -7.635 21.748 1.00 0.00 O HETATM 23 NH PMY A 1 15.093 -9.812 22.100 1.00 0.00 N HETATM 24 C13 PMY A 1 16.360 -10.099 22.792 1.00 0.00 C HETATM 25 C14 PMY A 1 16.113 -11.226 23.818 1.00 0.00 C HETATM 26 OH1 PMY A 1 15.187 -10.604 24.698 1.00 0.00 O HETATM 27 C27 PMY A 1 15.530 -12.550 23.379 1.00 0.00 C HETATM 28 NJ PMY A 1 14.352 -12.709 22.765 1.00 0.00 N HETATM 29 C28 PMY A 1 16.081 -13.774 23.499 1.00 0.00 C HETATM 30 C29 PMY A 1 14.182 -14.021 22.531 1.00 0.00 C HETATM 31 NI PMY A 1 15.252 -14.677 22.965 1.00 0.00 N HETATM 32 C30 PMY A 1 17.501 -10.535 21.868 1.00 0.00 C HETATM 33 O30 PMY A 1 18.603 -10.780 22.354 1.00 0.00 O HETATM 34 NK PMY A 1 17.245 -10.717 20.574 1.00 0.00 N HETATM 35 C31 PMY A 1 18.138 -11.213 19.550 1.00 0.00 C HETATM 36 CB PMY A 1 18.594 -9.977 18.704 1.00 0.00 C HETATM 37 C33 PMY A 1 17.271 -12.204 18.694 1.00 0.00 C HETATM 38 OH2 PMY A 1 18.026 -12.594 17.579 1.00 0.00 O HETATM 39 C34 PMY A 1 16.886 -13.502 19.477 1.00 0.00 C HETATM 40 CC PMY A 1 18.161 -14.440 19.572 1.00 0.00 C HETATM 41 C36 PMY A 1 15.717 -14.355 18.900 1.00 0.00 C HETATM 42 O36 PMY A 1 15.767 -15.577 19.038 1.00 0.00 O HETATM 43 NL PMY A 1 14.664 -13.795 18.281 1.00 0.00 N HETATM 44 C37 PMY A 1 13.496 -14.514 17.732 1.00 0.00 C HETATM 45 C38 PMY A 1 12.538 -15.137 18.804 1.00 0.00 C HETATM 46 OH3 PMY A 1 12.287 -14.232 19.891 1.00 0.00 O HETATM 47 CD PMY A 1 12.989 -16.507 19.423 1.00 0.00 C HETATM 48 C40 PMY A 1 12.627 -13.663 16.786 1.00 0.00 C HETATM 49 O40 PMY A 1 12.062 -14.262 15.871 1.00 0.00 O HETATM 50 NM PMY A 1 12.474 -12.333 16.936 1.00 0.00 N HETATM 51 C41 PMY A 1 11.661 -11.539 16.005 1.00 0.00 C HETATM 52 C42 PMY A 1 12.515 -11.235 14.769 1.00 0.00 C HETATM 53 C43 PMY A 1 13.577 -10.246 15.133 1.00 0.00 C HETATM 54 S43 PMY A 1 15.327 -10.606 15.236 1.00 0.00 S HETATM 55 C44 PMY A 1 15.545 -8.864 15.682 1.00 0.00 C HETATM 56 NN PMY A 1 13.296 -8.970 15.418 1.00 0.00 N HETATM 57 C45 PMY A 1 14.360 -8.201 15.709 1.00 0.00 C HETATM 58 C46 PMY A 1 14.215 -6.876 15.940 1.00 0.00 C HETATM 59 S46 PMY A 1 12.621 -6.039 15.913 1.00 0.00 S HETATM 60 C47 PMY A 1 13.502 -4.492 16.244 1.00 0.00 C HETATM 61 NO PMY A 1 15.213 -6.010 16.169 1.00 0.00 N HETATM 62 C48 PMY A 1 14.836 -4.720 16.323 1.00 0.00 C HETATM 63 C49 PMY A 1 15.868 -3.685 16.534 1.00 0.00 C HETATM 64 O49 PMY A 1 17.034 -4.073 16.573 1.00 0.00 O HETATM 65 NP PMY A 1 15.596 -2.373 16.678 1.00 0.00 N HETATM 66 C51 PMY A 1 16.658 -1.368 16.830 1.00 0.00 C HETATM 67 C52 PMY A 1 16.914 -0.949 18.339 1.00 0.00 C HETATM 68 C53 PMY A 1 16.860 -2.129 19.429 1.00 0.00 C HETATM 69 NQ PMY A 1 17.832 -3.244 19.144 1.00 0.00 N HETATM 70 CE PMY A 1 19.307 -4.654 20.631 1.00 0.00 C HETATM 71 C54 PMY A 1 19.254 -3.484 19.587 1.00 0.00 C HETATM 72 C56 PMY A 1 20.126 -3.783 18.327 1.00 0.00 C HETATM 73 C57 PMY A 1 19.712 -4.751 17.425 1.00 0.00 C HETATM 74 C58 PMY A 1 20.442 -5.024 16.297 1.00 0.00 C HETATM 75 C59 PMY A 1 21.602 -4.353 16.038 1.00 0.00 C HETATM 76 C60 PMY A 1 22.027 -3.395 16.915 1.00 0.00 C HETATM 77 C61 PMY A 1 21.304 -3.104 18.047 1.00 0.00 C HETATM 0 HO3 PMY A 1 11.685 -14.656 20.537 1.00 0.00 H new HETATM 0 HO2 PMY A 1 17.503 -13.216 17.031 1.00 0.00 H new HETATM 0 HO1 PMY A 1 14.845 -11.266 25.334 1.00 0.00 H new HETATM 0 HNQ PMY A 1 17.458 -3.974 18.537 1.00 0.00 H new HETATM 0 HNP PMY A 1 14.623 -2.068 16.682 1.00 0.00 H new HETATM 0 HNM PMY A 1 12.935 -11.865 17.716 1.00 0.00 H new HETATM 0 HNL PMY A 1 14.672 -12.780 18.181 1.00 0.00 H new HETATM 0 HNK PMY A 1 16.302 -10.477 20.267 1.00 0.00 H new HETATM 0 HNI PMY A 1 15.412 -15.682 22.903 1.00 0.00 H new HETATM 0 HNC PMY A 1 12.794 -12.413 20.995 1.00 0.00 H new HETATM 0 HF2 PMY A 1 11.654 -5.624 18.837 1.00 0.00 H new HETATM 0 HF1 PMY A 1 10.316 -6.707 18.442 1.00 0.00 H new HETATM 0 HEC PMY A 1 18.702 -4.394 21.500 1.00 0.00 H new HETATM 0 HEB PMY A 1 18.917 -5.565 20.177 1.00 0.00 H new HETATM 0 HEA PMY A 1 20.339 -4.817 20.943 1.00 0.00 H new HETATM 0 HDC PMY A 1 13.080 -17.251 18.632 1.00 0.00 H new HETATM 0 HDB PMY A 1 13.953 -16.383 19.917 1.00 0.00 H new HETATM 0 HDA PMY A 1 12.248 -16.839 20.151 1.00 0.00 H new HETATM 0 HD2 PMY A 1 7.786 -9.337 20.587 1.00 0.00 H new HETATM 0 HD1 PMY A 1 7.649 -8.904 18.879 1.00 0.00 H new HETATM 0 HCC PMY A 1 18.496 -14.701 18.568 1.00 0.00 H new HETATM 0 HCB PMY A 1 18.960 -13.916 20.097 1.00 0.00 H new HETATM 0 HCA PMY A 1 17.904 -15.349 20.116 1.00 0.00 H new HETATM 0 HBC PMY A 1 17.722 -9.500 18.257 1.00 0.00 H new HETATM 0 HBB PMY A 1 19.106 -9.263 19.349 1.00 0.00 H new HETATM 0 HBA PMY A 1 19.272 -10.305 17.916 1.00 0.00 H new HETATM 0 HB1 PMY A 1 13.455 -10.586 24.348 1.00 0.00 H new HETATM 0 HAC PMY A 1 14.073 -5.883 19.193 1.00 0.00 H new HETATM 0 HAB PMY A 1 13.237 -5.299 20.651 1.00 0.00 H new HETATM 0 HAA PMY A 1 14.731 -6.254 20.805 1.00 0.00 H new HETATM 0 HA2 PMY A 1 9.074 -11.571 24.622 1.00 0.00 H new HETATM 0 HA1 PMY A 1 9.515 -11.999 26.278 1.00 0.00 H new HETATM 0 H8X PMY A 1 17.071 -1.714 20.415 1.00 0.00 H new HETATM 0 H8E PMY A 1 15.850 -2.536 19.464 1.00 0.00 H new HETATM 0 H7X PMY A 1 17.893 -0.473 18.400 1.00 0.00 H new HETATM 0 H7E PMY A 1 16.175 -0.196 18.614 1.00 0.00 H new HETATM 0 H6X PMY A 1 17.583 -1.760 16.407 1.00 0.00 H new HETATM 0 H6E PMY A 1 16.395 -0.481 16.254 1.00 0.00 H new HETATM 0 H61 PMY A 1 21.659 -2.333 18.731 1.00 0.00 H new HETATM 0 H60 PMY A 1 22.952 -2.854 16.714 1.00 0.00 H new HETATM 0 H6 PMY A 1 11.218 -11.689 19.445 1.00 0.00 H new HETATM 0 H5X PMY A 1 9.108 -11.000 21.383 1.00 0.00 H new HETATM 0 H5E PMY A 1 9.204 -12.360 20.282 1.00 0.00 H new HETATM 0 H59 PMY A 1 22.182 -4.578 15.143 1.00 0.00 H new HETATM 0 H58 PMY A 1 20.092 -5.785 15.600 1.00 0.00 H new HETATM 0 H57 PMY A 1 18.792 -5.304 17.616 1.00 0.00 H new HETATM 0 H54 PMY A 1 19.653 -2.599 20.082 1.00 0.00 H new HETATM 0 H47 PMY A 1 13.028 -3.518 16.363 1.00 0.00 H new HETATM 0 H44 PMY A 1 16.509 -8.404 15.902 1.00 0.00 H new HETATM 0 H3X PMY A 1 12.258 -13.103 23.169 1.00 0.00 H new HETATM 0 H3E PMY A 1 10.564 -12.909 22.764 1.00 0.00 H new HETATM 0 H38 PMY A 1 11.636 -15.330 18.223 1.00 0.00 H new HETATM 0 H37 PMY A 1 13.979 -15.319 17.178 1.00 0.00 H new HETATM 0 H34 PMY A 1 16.530 -13.135 20.440 1.00 0.00 H new HETATM 0 H33 PMY A 1 16.352 -11.685 18.422 1.00 0.00 H new HETATM 0 H31 PMY A 1 19.025 -11.719 19.931 1.00 0.00 H new HETATM 0 H2X PMY A 1 12.969 -12.151 14.392 1.00 0.00 H new HETATM 0 H2E PMY A 1 11.890 -10.837 13.970 1.00 0.00 H new HETATM 0 H29 PMY A 1 13.308 -14.473 22.062 1.00 0.00 H new HETATM 0 H28 PMY A 1 17.046 -13.992 23.957 1.00 0.00 H new HETATM 0 H2 PMY A 1 10.752 -10.365 23.309 1.00 0.00 H new HETATM 0 H1X PMY A 1 10.762 -12.087 15.722 1.00 0.00 H new HETATM 0 H1E PMY A 1 11.334 -10.614 16.479 1.00 0.00 H new HETATM 0 H14 PMY A 1 17.085 -11.549 24.190 1.00 0.00 H new HETATM 0 H13 PMY A 1 16.674 -9.165 23.258 1.00 0.00 H new HETATM 144 CO 3CO A 2 13.615 -11.085 21.722 1.00 0.00 CO HETATM 145 O1 PEO A 3 14.261 -11.497 19.888 1.00 0.00 O HETATM 146 O2 PEO A 3 14.547 -10.382 19.008 1.00 0.00 O CONECT 1 2 78 79 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 6 80 CONECT 5 4 81 82 144 CONECT 6 4 7 83 84 CONECT 7 6 12 85 144 CONECT 8 9 86 87 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 88 89 CONECT 12 7 11 13 90 CONECT 13 12 14 16 CONECT 14 13 15 CONECT 15 14 18 19 CONECT 16 13 17 144 CONECT 17 16 18 21 CONECT 18 15 17 20 CONECT 19 15 91 92 CONECT 20 18 93 94 95 CONECT 21 17 22 23 CONECT 22 21 CONECT 23 21 24 144 CONECT 24 23 25 32 96 CONECT 25 24 26 27 97 CONECT 26 25 98 CONECT 27 25 28 29 CONECT 28 27 30 144 CONECT 29 27 31 99 CONECT 30 28 31 100 CONECT 31 29 30 101 CONECT 32 24 33 34 CONECT 33 32 CONECT 34 32 35 102 CONECT 35 34 36 37 103 CONECT 36 35 104 105 106 CONECT 37 35 38 39 107 CONECT 38 37 108 CONECT 39 37 40 41 109 CONECT 40 39 110 111 112 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 113 CONECT 44 43 45 48 114 CONECT 45 44 46 47 115 CONECT 46 45 116 CONECT 47 45 117 118 119 CONECT 48 44 49 50 CONECT 49 48 CONECT 50 48 51 120 CONECT 51 50 52 121 122 CONECT 52 51 53 123 124 CONECT 53 52 54 56 CONECT 54 53 55 CONECT 55 54 57 125 CONECT 56 53 57 CONECT 57 55 56 58 CONECT 58 57 59 61 CONECT 59 58 60 CONECT 60 59 62 126 CONECT 61 58 62 CONECT 62 60 61 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 127 CONECT 66 65 67 128 129 CONECT 67 66 68 130 131 CONECT 68 67 69 132 133 CONECT 69 68 71 134 CONECT 70 71 135 136 137 CONECT 71 69 70 72 138 CONECT 72 71 73 77 CONECT 73 72 74 139 CONECT 74 73 75 140 CONECT 75 74 76 141 CONECT 76 75 77 142 CONECT 77 72 76 143 CONECT 78 1 CONECT 79 1 CONECT 80 4 CONECT 81 5 CONECT 82 5 CONECT 83 6 CONECT 84 6 CONECT 85 7 CONECT 86 8 CONECT 87 8 CONECT 88 11 CONECT 89 11 CONECT 90 12 CONECT 91 19 CONECT 92 19 CONECT 93 20 CONECT 94 20 CONECT 95 20 CONECT 96 24 CONECT 97 25 CONECT 98 26 CONECT 99 29 CONECT 100 30 CONECT 101 31 CONECT 102 34 CONECT 103 35 CONECT 104 36 CONECT 105 36 CONECT 106 36 CONECT 107 37 CONECT 108 38 CONECT 109 39 CONECT 110 40 CONECT 111 40 CONECT 112 40 CONECT 113 43 CONECT 114 44 CONECT 115 45 CONECT 116 46 CONECT 117 47 CONECT 118 47 CONECT 119 47 CONECT 120 50 CONECT 121 51 CONECT 122 51 CONECT 123 52 CONECT 124 52 CONECT 125 55 CONECT 126 60 CONECT 127 65 CONECT 128 66 CONECT 129 66 CONECT 130 67 CONECT 131 67 CONECT 132 68 CONECT 133 68 CONECT 134 69 CONECT 135 70 CONECT 136 70 CONECT 137 70 CONECT 138 71 CONECT 139 73 CONECT 140 74 CONECT 141 75 CONECT 142 76 CONECT 143 77 CONECT 144 5 7 16 23 CONECT 144 28 145 CONECT 145 144 146 CONECT 146 145 147 CONECT 147 146 END