Numata 134-VII-Ac-1
Numata 134-VII-Ac-1
PDB Coordinates
REMA Input SHELXS/L INS file: n134.pdb
REMA Parameters were exchanged from INS file to PDB format at 12-FEB-98
REMA TITL Numata 134-VII-Ac1: C27H37NO7CL LAUE=C2/m Z=4 SPG=C2
REMA CELL 1.5418 19.1753 9.3223 17.7512 90. 103.005 90.
REMA ZERR 4 .0065 .0025 .0037 .0 .021 .0
REMA LATT -7
REMA SYMM -X,Y,-Z
REMA SFAC C H N O CL
REMA UNIT 108 148 4 28 4
REMA
ATOM 1 CL9 NNN 1 12.1575 8.6730 12.2320 1.00 7.18
ATOM 2 O1 NNN 1 11.3677 8.6257 17.1129 1.00 4.93
ATOM 3 C2 NNN 1 11.9912 8.0767 18.2143 1.00 4.34
ATOM 4 H2 NNN 1 12.4738 8.7579 18.7275 1.00 5.12
ATOM 5 O2 NNN 1 11.0575 7.3599 19.0431 1.00 5.22
ATOM 6 C3 NNN 1 12.9264 7.0416 17.6669 1.00 4.41
ATOM 7 H3 NNN 1 13.6832 7.4921 17.2371 1.00 5.24
ATOM 8 C4 NNN 1 12.0531 6.3975 16.5869 1.00 4.22
ATOM 9 H4A NNN 1 11.4669 5.7229 16.9642 1.00 5.07
ATOM 10 H4B NNN 1 12.5944 5.9956 15.8896 1.00 5.07
ATOM 11 C5 NNN 1 11.2579 7.5877 16.0547 1.00 4.34
ATOM 12 C6 NNN 1 9.7906 7.2775 15.8961 1.00 4.75
ATOM 13 H6 NNN 1 9.3919 6.6980 16.5783 1.00 5.56
ATOM 14 O67 NNN 1 8.9975 8.3876 15.4611 1.00 5.51
ATOM 15 C7 NNN 1 9.1790 7.2413 14.5827 1.00 5.18
ATOM 16 H7 NNN 1 8.4071 6.6465 14.4782 1.00 6.14
ATOM 17 C8 NNN 1 9.9664 7.5264 13.3502 1.00 5.13
ATOM 18 H8 NNN 1 10.0713 6.7026 12.8297 1.00 6.26
ATOM 19 O8 NNN 1 9.2037 8.4965 12.5786 1.00 6.57
ATOM 20 C9 NNN 1 11.3044 8.0979 13.6518 1.00 4.93
ATOM 21 C10 NNN 1 11.8838 8.1624 14.8087 1.00 4.93
ATOM 22 H10 NNN 1 12.7136 8.5772 14.8731 1.00 5.77
ATOM 23 N11 NNN 1 13.4350 6.0678 18.6156 1.00 4.68
ATOM 24 H11 NNN 1 13.0403 5.3067 18.6834 1.00 5.57
ATOM 25 C12 NNN 1 14.5053 6.3186 19.3930 1.00 4.55
ATOM 26 O12 NNN 1 15.1159 7.3870 19.3238 1.00 5.58
ATOM 27 C13 NNN 1 14.8459 5.2297 20.3113 1.00 4.97
ATOM 28 H13 NNN 1 14.4028 4.4162 20.2294 1.00 5.79
ATOM 29 C14 NNN 1 15.7795 5.3694 21.2688 1.00 4.84
ATOM 30 H14 NNN 1 16.2125 6.1918 21.3023 1.00 5.72
ATOM 31 C15 NNN 1 16.1900 4.3918 22.2532 1.00 4.96
ATOM 32 C16 NNN 1 17.0343 4.7817 23.2163 1.00 5.54
ATOM 33 H16 NNN 1 17.3484 5.6557 23.1656 1.00 6.65
ATOM 34 C17 NNN 1 17.5277 3.9562 24.3696 1.00 5.88
ATOM 35 H17 NNN 1 17.6811 3.0395 24.0589 1.00 7.05
ATOM 36 C18 NNN 1 18.8286 4.5189 24.8834 1.00 8.33
ATOM 37 H8A NNN 1 19.4211 4.6688 24.1302 1.00 10.26
ATOM 38 H8B NNN 1 18.6536 5.3797 25.2949 1.00 10.26
ATOM 39 C19 NNN 1 19.5328 3.6407 25.8835 1.00 8.65
ATOM 40 H9A NNN 1 19.9364 2.8950 25.4122 1.00 10.60
ATOM 41 H9B NNN 1 18.8742 3.2784 26.4966 1.00 10.60
ATOM 42 C20 NNN 1 20.6027 4.3424 26.6832 1.00 10.15
ATOM 43 H2A NNN 1 21.2628 4.6877 26.0620 1.00 12.71
ATOM 44 H2B NNN 1 20.1958 5.1051 27.1232 1.00 12.71
ATOM 45 C21 NNN 1 21.3039 3.5587 27.6963 1.00 10.83
ATOM 46 H1A NNN 1 21.8945 2.9303 27.2521 1.00 13.26
ATOM 47 H1B NNN 1 20.6532 3.0456 28.2004 1.00 13.26
ATOM 48 C22 NNN 1 22.1077 4.3855 28.6479 1.00 16.78
ATOM 49 H2A NNN 1 22.6492 5.0028 28.1314 1.00 21.16
ATOM 50 H2B NNN 1 21.4954 4.9147 29.1827 1.00 21.16
ATOM 51 C23 NNN 1 22.9709 3.6660 29.5350 1.00 15.85
ATOM 52 H3A NNN 1 22.8931 2.7246 29.3636 1.00 24.98
ATOM 53 H3B NNN 1 22.7195 3.8478 30.4434 1.00 24.98
ATOM 54 H3C NNN 1 23.8789 3.9431 29.3926 1.00 24.98
ATOM 55 C24 NNN 1 15.6407 3.0017 22.1171 1.00 6.35
ATOM 56 H4A NNN 1 16.0684 2.4247 22.7540 1.00 9.44
ATOM 57 H4B NNN 1 15.8070 2.6773 21.2291 1.00 9.44
ATOM 58 H4C NNN 1 14.6948 3.0139 22.2813 1.00 9.44
ATOM 59 C25 NNN 1 16.4687 3.9327 25.4618 1.00 9.78
ATOM 60 H5A NNN 1 16.3121 4.8265 25.7749 1.00 14.10
ATOM 61 H5B NNN 1 16.7728 3.3871 26.1908 1.00 14.10
ATOM 62 H5C NNN 1 15.6530 3.5696 25.1090 1.00 14.10
ATOM 63 C26 NNN 1 10.3547 8.0611 19.9524 1.00 5.90
ATOM 64 O26 NNN 1 10.4386 9.2315 20.0795 1.00 7.26
ATOM 65 C27 NNN 1 9.4996 7.1586 20.7362 1.00 11.40
ATOM 66 H7A NNN 1 9.6674 7.2914 21.6721 1.00 15.08
ATOM 67 H7B NNN 1 9.6958 6.2485 20.5020 1.00 15.08
ATOM 68 H7C NNN 1 8.5776 7.3463 20.5463 1.00 15.08
ATOM 69 C28 NNN 1 8.8458 8.1818 11.3444 1.00 6.97
ATOM 70 O28 NNN 1 9.0520 7.1000 10.8551 1.00 9.80
ATOM 71 C29 NNN 1 8.1641 9.3390 10.6712 1.00 9.66
ATOM 72 H9A NNN 1 7.8485 9.0657 9.8068 1.00 14.56
ATOM 73 H9B NNN 1 8.7868 10.0627 10.5704 1.00 14.56
ATOM 74 H9C NNN 1 7.4213 9.6281 11.2062 1.00 14.56
END
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