MOR 90
MOR 90
Z-L-(alphaMe)Phg-(D-Ala)2-OMe
PDB Coordinates
REMA Input SHELXS/L INS file: mor90.pdb
REMA Parameters were exchanged from INS file to PDB format at 12-NOV-97
REMA TITL MOR90: Z-L-(alphaMe)Phg-(D-Ala)2-OMe P212121 C23H28N3O6 Z=4
REMA CELL 1.5418 11.8168 21.5280 9.3910 90. 90. 90.
REMA ZERR 4 .0014 .0031 .0013 .0 .0 .0
REMA LATT -1
REMA SYMM 0.5-X,-Y,0.5+Z
REMA SYMM -X,0.5+Y,0.5-Z
REMA SYMM 0.5+X,0.5-Y,-Z
REMA SFAC C H N O
REMA UNIT 92 112 12 24
REMA WGHT 0.164900 0.718700
REMA FVAR 6.82254
REMA
ATOM 1 C1Z MOR 1 1.8983 -2.9259 17.4156 1.00 5.19
ATOM 2 C2Z MOR 1 2.6621 -3.5724 18.3433 1.00 7.08
ATOM 3 H2Z MOR 1 3.5123 -3.2576 18.5507 1.00 3.95
ATOM 4 C3Z MOR 1 2.1585 -4.7110 18.9803 1.00 9.33
ATOM 5 H3Z MOR 1 2.6688 -5.1700 19.6078 1.00 3.95
ATOM 6 C4Z MOR 1 0.8622 -5.1458 18.6500 1.00 9.90
ATOM 7 H4Z MOR 1 0.5072 -5.9174 19.0287 1.00 3.95
ATOM 8 C5Z MOR 1 0.1825 -4.4518 17.8140 1.00 12.95
ATOM 9 H5Z MOR 1 -0.6938 -4.7103 17.6399 1.00 3.95
ATOM 10 C6Z MOR 1 0.6515 -3.3975 17.1897 1.00 11.02
ATOM 11 H6Z MOR 1 0.1095 -2.9612 16.5726 1.00 3.95
ATOM 12 C7Z MOR 1 2.3526 -1.7668 16.6804 1.00 6.75
ATOM 13 HZ1 MOR 1 2.9878 -1.2831 17.2313 1.00 3.95
ATOM 14 HZ2 MOR 1 1.5936 -1.1821 16.5286 1.00 3.95
ATOM 15 O7Z MOR 1 2.9777 -2.0523 15.3993 1.00 6.21
ATOM 16 C8Z MOR 1 4.3077 -2.0486 15.3253 1.00 4.52
ATOM 17 O8Z MOR 1 5.0587 -1.9618 16.2855 1.00 5.80
ATOM 18 N1 MOR 2 4.6939 -2.1720 14.0536 1.00 4.85
ATOM 19 H1 MOR 2 4.0920 -2.3859 13.4776 1.00 3.95
ATOM 20 C1A MOR 2 6.0683 -1.9715 13.5540 1.00 3.98
ATOM 21 C1B2 MOR 2 6.9804 -3.1067 14.0326 1.00 3.99
ATOM 22 C1B1 MOR 2 6.5898 -0.5892 13.9080 1.00 5.15
ATOM 23 HB1 MOR 2 7.4302 -0.4420 13.4679 1.00 3.95
ATOM 24 HB2 MOR 2 6.7109 -0.5268 14.8583 1.00 3.95
ATOM 25 HB3 MOR 2 5.9579 0.0741 13.6216 1.00 3.95
ATOM 26 C1G1 MOR 2 6.6165 -4.3995 13.7781 1.00 6.45
ATOM 27 HG1 MOR 2 5.8301 -4.5708 13.3121 1.00 3.95
ATOM 28 C1G2 MOR 2 8.1612 -2.8469 14.7145 1.00 5.76
ATOM 29 HG2 MOR 2 8.4162 -1.9702 14.8914 1.00 3.95
ATOM 30 C1D1 MOR 2 7.4023 -5.4584 14.2041 1.00 8.63
ATOM 31 HD1 MOR 2 7.1496 -6.3368 14.0320 1.00 3.95
ATOM 32 C1D2 MOR 2 8.9563 -3.9007 15.1292 1.00 8.74
ATOM 33 HD2 MOR 2 9.7561 -3.7287 15.5717 1.00 3.95
ATOM 34 C1E MOR 2 8.5795 -5.1786 14.8961 1.00 10.78
ATOM 35 H1E MOR 2 9.1113 -5.8780 15.2007 1.00 3.95
ATOM 36 C1 MOR 2 5.8888 -1.9995 12.0269 1.00 4.03
ATOM 37 O1 MOR 2 4.7687 -1.9765 11.5338 1.00 6.56
ATOM 38 N2 MOR 3 6.9985 -1.9739 11.2685 1.00 3.77
ATOM 39 H2 MOR 3 7.7617 -2.1677 11.6145 1.00 3.95
ATOM 40 C2A MOR 3 6.9061 -1.6213 9.8753 1.00 3.86
ATOM 41 H2A MOR 3 6.1881 -2.1455 9.4631 1.00 3.95
ATOM 42 C2B MOR 3 8.1991 -1.9110 9.1511 1.00 5.11
ATOM 43 HB1 MOR 3 8.1311 -1.6099 8.2420 1.00 3.95
ATOM 44 HB2 MOR 3 8.3679 -2.8559 9.1635 1.00 3.95
ATOM 45 HB3 MOR 3 8.9201 -1.4512 9.5873 1.00 3.95
ATOM 46 C2 MOR 3 6.5626 -0.1027 9.7416 1.00 4.11
ATOM 47 O2 MOR 3 6.9252 0.7012 10.5609 1.00 3.37
ATOM 48 N3 MOR 4 5.8960 0.1916 8.6355 1.00 4.35
ATOM 49 H3 MOR 4 5.6255 -0.4430 8.1219 1.00 3.95
ATOM 50 C3A MOR 4 5.6146 1.5752 8.2770 1.00 4.09
ATOM 51 H3A MOR 4 5.3216 2.0508 9.0822 1.00 3.95
ATOM 52 C3B MOR 4 4.5023 1.6531 7.2391 1.00 6.27
ATOM 53 HB1 MOR 4 4.7940 1.2353 6.4255 1.00 3.95
ATOM 54 HB2 MOR 4 4.2884 2.5730 7.0678 1.00 3.95
ATOM 55 HB3 MOR 4 3.7235 1.1998 7.5702 1.00 3.95
ATOM 56 C3 MOR 4 6.8560 2.2548 7.7445 1.00 3.85
ATOM 57 O3 MOR 4 7.8519 1.6910 7.3686 1.00 5.15
ATOM 58 O3T MOR 4 6.6583 3.5530 7.6796 1.00 5.65
ATOM 59 C3ME MOR 4 7.7050 4.3654 7.0821 1.00 6.79
ATOM 60 HM1 MOR 4 7.5090 5.2946 7.2236 1.00 3.95
ATOM 61 HM2 MOR 4 7.7495 4.1876 6.1398 1.00 3.95
ATOM 62 HM3 MOR 4 8.5479 4.1508 7.4885 1.00 3.95
END
Back to the index