SubstituentSubstitution/SEG_PHOS.xyz at main · ss0832/SubstituentSubstitution · GitHub

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C  -0.004840 0.059560  0.044740
P  1.864560  0.288190  0.002790
C  -0.755420 1.238770  -0.040490
C  -0.648640 -1.188730 0.046400
C  -2.039520 -1.180800 -0.087070
C  -2.145660 1.225790  -0.124960
C  -2.772940 -0.011280 -0.157100
C  -0.007590 -2.430800 0.144030
O  -2.911120 -2.247130 -0.108230
H  -0.253110 2.220700  -0.063570
H  -2.731200 2.157580  -0.190460
O  -4.115040 -0.290920 -0.249290
C  0.950570  -2.777170 1.110910
C  -0.361980 -3.421460 -0.775410
C  0.232670  -4.669150 -0.790000
C  1.537470  -4.048600 1.096560
C  1.204020  -5.006080 0.141510
O  -1.257400 -3.349970 -1.819570
O  -0.275700 -5.431360 -1.813990
P  1.428940  -1.683920 2.568510
H  2.274700  -4.332680 1.866500
H  1.670460  -6.004970 0.134640
H  2.472880  -0.771170 -0.848830
H  2.219390  1.558710  -0.687940
H  0.223630  -0.960690 3.060150
H  1.852000  -2.516500 3.728280
C  -4.217510 -1.706680 -0.240420
H  -4.647160 -2.042190 -1.208620
H  -4.827730 -2.020180 0.633380
C  -1.237830 -4.614980 -2.464190
H  -0.936970 -4.475020 -3.524400
H  -2.238830 -5.085620 -2.358960