Header list of 1p3x.pdb file
Complete list - 28 20 Bytes
HEADER DNA 05-FEB-98 1P3X
TITLE INTRAMOLECULAR DNA TRIPLEX WITH 1-PROPYNYL DEOXYURIDINE IN THE THIRD
TITLE 2 STRAND, NMR, 10 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: HEXAKIS (ETHYLENE GLYCOL) LINKERS BETWEEN A 8 AND T 9
COMPND 6 AND BETWEEN T 16 AND T 17. C 18, C 20, AND C 22 ARE PROTONATED;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: DNA (5'-D(*TP*TP*CP*TP*CP*TP*CP*T)-3');
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES;
COMPND 11 OTHER_DETAILS: HEXAKIS (ETHYLENE GLYCOL) LINKERS BETWEEN A 8 AND T 9
COMPND 12 AND BETWEEN T 16 AND T 17. C 18, C 20, AND C 22 ARE PROTONATED
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS OLIGONUCLEOTIDE, TRIPLEX, PROPYNE, DNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR A.K.PHIPPS,M.TARKOY,P.SCHULTZE,J.FEIGON
REVDAT 3 28-JUL-21 1P3X 1 COMPND REMARK FORMUL LINK
REVDAT 3 2 1 ATOM
REVDAT 2 24-FEB-09 1P3X 1 VERSN
REVDAT 1 06-MAY-98 1P3X 0
JRNL AUTH A.K.PHIPPS,M.TARKOY,P.SCHULTZE,J.FEIGON
JRNL TITL SOLUTION STRUCTURE OF AN INTRAMOLECULAR DNA TRIPLEX
JRNL TITL 2 CONTAINING 5-(1-PROPYNYL)-2'-DEOXYURIDINE RESIDUES IN THE
JRNL TITL 3 THIRD STRAND.
JRNL REF BIOCHEMISTRY V. 37 5820 1998
JRNL REFN ISSN 0006-2960
JRNL PMID 9558315
JRNL DOI 10.1021/BI972811U
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: LAST REFINEMENT STEP USED RELAXATION
REMARK 3 MATRIX REFINEMENT.
REMARK 4
REMARK 4 1P3X COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000175558.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 5.2
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQF-COSY; TOCSY; HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX500; AMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST OVERALL ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
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 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H61 DA A 1 O4 DT B 16 1.34
REMARK 500 O6 DG A 6 H41 DC B 11 1.56
REMARK 500 O6 DG A 4 H41 DC B 13 1.58
REMARK 500 O6 DG A 2 H41 DC B 15 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 DA A 1 C5' DA A 1 C4' 0.127
REMARK 500 1 DG A 2 C4' DG A 2 C3' 0.065
REMARK 500 1 DG A 2 C3' DG A 2 C2' 0.077
REMARK 500 1 DA A 3 C5' DA A 3 C4' 0.146
REMARK 500 1 DA A 3 C8 DA A 3 N9 -0.073
REMARK 500 1 DG A 6 C5' DG A 6 C4' 0.050
REMARK 500 1 DG A 6 C2' DG A 6 C1' 0.065
REMARK 500 1 DA A 8 C3' DA A 8 C2' -0.056
REMARK 500 1 DT B 10 C5 DT B 10 C7 0.037
REMARK 500 1 DT B 12 C5' DT B 12 C4' 0.042
REMARK 500 1 DT B 12 C3' DT B 12 C2' -0.069
REMARK 500 1 DC B 13 C5' DC B 13 C4' 0.052
REMARK 500 1 DT B 14 C5' DT B 14 C4' 0.049
REMARK 500 1 DT B 14 C3' DT B 14 C2' -0.077
REMARK 500 1 DT B 14 C5 DT B 14 C7 0.052
REMARK 500 1 DT B 16 C5' DT B 16 C4' 0.074
REMARK 500 2 DA A 1 C5' DA A 1 C4' 0.119
REMARK 500 2 DG A 2 C4' DG A 2 C3' 0.066
REMARK 500 2 DG A 2 C3' DG A 2 C2' 0.091
REMARK 500 2 DA A 3 C5' DA A 3 C4' 0.156
REMARK 500 2 DA A 3 C8 DA A 3 N9 -0.072
REMARK 500 2 DG A 6 C5' DG A 6 C4' 0.056
REMARK 500 2 DA A 8 C3' DA A 8 C2' -0.061
REMARK 500 2 DT B 12 C3' DT B 12 C2' -0.067
REMARK 500 2 DT B 12 C5 DT B 12 C7 0.044
REMARK 500 2 DC B 13 C5' DC B 13 C4' 0.053
REMARK 500 2 DC B 13 C3' DC B 13 C2' -0.051
REMARK 500 2 DT B 14 C5' DT B 14 C4' 0.065
REMARK 500 2 DT B 14 C3' DT B 14 C2' -0.085
REMARK 500 2 DT B 14 C5 DT B 14 C7 0.042
REMARK 500 2 DT B 16 C5' DT B 16 C4' 0.071
REMARK 500 2 DT B 16 C3' DT B 16 C2' -0.052
REMARK 500 3 DA A 1 C5' DA A 1 C4' 0.115
REMARK 500 3 DG A 2 C4' DG A 2 C3' 0.069
REMARK 500 3 DG A 2 C3' DG A 2 C2' 0.078
REMARK 500 3 DA A 3 C5' DA A 3 C4' 0.134
REMARK 500 3 DA A 3 C2' DA A 3 C1' 0.082
REMARK 500 3 DA A 3 C8 DA A 3 N9 -0.075
REMARK 500 3 DG A 6 C5' DG A 6 C4' 0.081
REMARK 500 3 DG A 6 C2' DG A 6 C1' 0.070
REMARK 500 3 DA A 8 C3' DA A 8 C2' -0.075
REMARK 500 3 DT B 10 C5' DT B 10 C4' 0.046
REMARK 500 3 DT B 12 C3' DT B 12 C2' -0.090
REMARK 500 3 DC B 13 C5 DC B 13 C6 0.057
REMARK 500 3 DT B 14 C5' DT B 14 C4' 0.049
REMARK 500 3 DT B 14 C4' DT B 14 C3' -0.091
REMARK 500 3 DC B 15 N1 DC B 15 C6 -0.037
REMARK 500 3 DT B 16 C3' DT B 16 C2' -0.065
REMARK 500 4 DA A 1 C5' DA A 1 C4' 0.112
REMARK 500 4 DG A 2 C4' DG A 2 C3' 0.065
REMARK 500
REMARK 500 THIS ENTRY HAS 165 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 DA A 1 O4' - C4' - C3' ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 DA A 1 C5' - C4' - C3' ANGL. DEV. = 12.9 DEGREES
REMARK 500 1 DA A 1 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DA A 1 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DA A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DG A 2 N7 - C8 - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 1 DG A 2 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 DA A 3 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 DA A 3 N9 - C1' - C2' ANGL. DEV. = 20.8 DEGREES
REMARK 500 1 DA A 3 C5 - N7 - C8 ANGL. DEV. = -4.6 DEGREES
REMARK 500 1 DA A 3 N7 - C8 - N9 ANGL. DEV. = 7.3 DEGREES
REMARK 500 1 DA A 3 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 DG A 4 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES
REMARK 500 1 DG A 4 O4' - C1' - C2' ANGL. DEV. = -6.5 DEGREES
REMARK 500 1 DG A 4 N9 - C1' - C2' ANGL. DEV. = 9.0 DEGREES
REMARK 500 1 DG A 4 C5 - N7 - C8 ANGL. DEV. = -3.5 DEGREES
REMARK 500 1 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.3 DEGREES
REMARK 500 1 DG A 4 C8 - N9 - C4 ANGL. DEV. = -3.5 DEGREES
REMARK 500 1 DA A 5 N9 - C1' - C2' ANGL. DEV. = -11.5 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - C2' ANGL. DEV. = -9.2 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DG A 6 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 DA A 7 C5' - C4' - O4' ANGL. DEV. = 15.2 DEGREES
REMARK 500 1 DA A 7 O4' - C1' - C2' ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DA A 8 C5' - C4' - O4' ANGL. DEV. = 7.5 DEGREES
REMARK 500 1 DA A 8 O4' - C1' - N9 ANGL. DEV. = 14.0 DEGREES
REMARK 500 1 DT B 9 C6 - C5 - C7 ANGL. DEV. = -4.2 DEGREES
REMARK 500 1 DT B 10 O4' - C4' - C3' ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 DT B 10 C3' - C2' - C1' ANGL. DEV. = 7.3 DEGREES
REMARK 500 1 DT B 10 O4' - C1' - C2' ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 DT B 10 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DT B 10 C3' - O3' - P ANGL. DEV. = 12.7 DEGREES
REMARK 500 1 DC B 11 N1 - C2 - O2 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 DT B 12 C3' - O3' - P ANGL. DEV. = 10.8 DEGREES
REMARK 500 1 DC B 13 C5' - C4' - C3' ANGL. DEV. = 8.4 DEGREES
REMARK 500 1 DC B 13 C3' - C2' - C1' ANGL. DEV. = -5.8 DEGREES
REMARK 500 1 DC B 13 C6 - N1 - C2 ANGL. DEV. = 2.7 DEGREES
REMARK 500 1 DC B 13 C3' - O3' - P ANGL. DEV. = 9.3 DEGREES
REMARK 500 1 DT B 14 O4' - C4' - C3' ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 DT B 14 C4' - C3' - C2' ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 DT B 14 C3' - C2' - C1' ANGL. DEV. = 12.2 DEGREES
REMARK 500 1 DT B 14 O4' - C1' - C2' ANGL. DEV. = -11.9 DEGREES
REMARK 500 1 DT B 14 C3' - O3' - P ANGL. DEV. = 17.3 DEGREES
REMARK 500 1 DC B 15 O4' - C1' - C2' ANGL. DEV. = -7.0 DEGREES
REMARK 500 1 DC B 15 O4' - C1' - N1 ANGL. DEV. = -5.8 DEGREES
REMARK 500 1 DC B 15 N1 - C2 - O2 ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 DC B 15 C3' - O3' - P ANGL. DEV. = 11.8 DEGREES
REMARK 500 1 DT B 16 C5' - C4' - O4' ANGL. DEV. = 16.1 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 578 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610 M RES C SSEQI
REMARK 610 1 PDU A 17
REMARK 610 2 PDU A 17
REMARK 610 3 PDU A 17
REMARK 610 4 PDU A 17
REMARK 610 5 PDU A 17
REMARK 610 6 PDU A 17
REMARK 610 7 PDU A 17
REMARK 610 8 PDU A 17
REMARK 610 9 PDU A 17
REMARK 610 10 PDU A 17
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PDU A 17
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DC A 18
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PDU A 19
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DCM A 20
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PDU A 21
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DC A 22
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PDU A 23
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PDU A 24
DBREF 1P3X A 1 8 PDB 1P3X 1P3X 1 8
DBREF 1P3X B 9 16 PDB 1P3X 1P3X 9 16
SEQRES 1 A 8 DA DG DA DG DA DG DA DA
SEQRES 1 B 8 DT DT DC DT DC DT DC DT
HET PDU A 17 31
HET DC A 18 31
HET PDU A 19 34
HET DCM A 20 31
HET PDU A 21 34
HET DC A 22 31
HET PDU A 23 34
HET PDU A 24 35
HETNAM PDU 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
HETNAM DC 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
HETNAM DCM 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
FORMUL 3 PDU 5(C12 H15 N2 O8 P)
FORMUL 4 DC 2(C9 H14 N3 O7 P)
FORMUL 6 DCM C9 H14 N3 O7 P
LINK O3' PDU A 17 P DC A 18 1555 1555 1.59
LINK O3' DC A 18 P PDU A 19 1555 1555 1.65
LINK O3' PDU A 19 P DCM A 20 1555 1555 1.61
LINK O3' DCM A 20 P PDU A 21 1555 1555 1.62
LINK O3' PDU A 21 P DC A 22 1555 1555 1.61
LINK O3' DC A 22 P PDU A 23 1555 1555 1.61
LINK O3' PDU A 23 P PDU A 24 1555 1555 1.61
SITE 1 AC1 2 DA A 1 DC A 18
SITE 1 AC2 5 DA A 1 DG A 2 DA A 3 PDU A 17
SITE 2 AC2 5 PDU A 19
SITE 1 AC3 5 DG A 2 DA A 3 DC A 18 DCM A 20
SITE 2 AC3 5 DC B 13
SITE 1 AC4 5 DA A 3 DG A 4 DA A 5 PDU A 19
SITE 2 AC4 5 PDU A 21
SITE 1 AC5 8 DA A 3 DG A 4 DA A 5 DG A 6
SITE 2 AC5 8 DCM A 20 DC A 22 DC B 11 DT B 12
SITE 1 AC6 6 DA A 5 DG A 6 DA A 7 PDU A 21
SITE 2 AC6 6 PDU A 23 DC B 11
SITE 1 AC7 4 DG A 6 DA A 7 DC A 22 PDU A 24
SITE 1 AC8 3 DA A 7 DA A 8 PDU A 23
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
MODEL 1
Complete list - 28 20 Bytes