for example ordering in final.pdb is as follows:<br><br>ATOM 1856 N2 DG3 X 86 15.620 47.770 21.660 1.00 0.00 <br>ATOM 1857 H21 DG3 X 86 16.480 48.290 21.560 1.00 0.00 <br>ATOM 1858 H22 DG3 X 86 15.010 48.060 22.420 1.00 0.00 <br>
ATOM 1859 N3 DG3 X 86 14.160 46.250 20.930 1.00 0.00 <br>ATOM 1860 C4 DG3 X 86 13.780 45.460 19.890 1.00 0.00 <br>ATOM 1861 C3' DG3 X 86 10.130 43.520 22.330 1.00 0.00 <br>
ATOM 1862 H3' DG3 X 86 9.350 42.780 22.490 1.00 0.00 <br>ATOM 1863 C2' DG3 X 86 10.400 43.920 20.880 1.00 0.00 <br>ATOM 1864 H2'1 DG3 X 86 10.450 43.060 20.220 1.00 0.00 <br>
ATOM 1865 H2'2 DG3 X 86 9.720 44.720 20.580 1.00 0.00 <br>ATOM 1866 O3' DG3 X 86 9.680 44.620 23.090 1.00 0.00 <br>ATOM 1867 H3T DG3 X 86 8.790 44.770 22.760 1.00 0.00 <br>
ATOM 1868 OW SOL X 87 6.340 24.560 33.150 1.00 0.00 <br>ATOM 1869 HW1 SOL X 87 6.550 24.130 33.980 1.00 0.00 <br>ATOM 1870 HW2 SOL X 87 6.590 25.470 33.290 1.00 0.00 <br>
ATOM 1871 OW SOL X 88 9.070 15.110 50.520 1.00 0.00 <br>ATOM 1872 HW1 SOL X 88 8.250 15.450 50.870 1.00 0.00 <br>ATOM 1873 HW2 SOL X 88 9.210 15.590 49.700 1.00 0.00 <br>
ATOM 1874 OW SOL X 89 56.650 30.810 11.740 1.00 0.00 <br>ATOM 1875 HW1 SOL X 89 56.550 30.850 12.690 1.00 0.00 <br>ATOM 1876 HW2 SOL X 89 55.930 31.350 11.390 1.00 0.00<br>
<br>while I want that ordering be as follows:<br><br>ATOM 1856 N2 DG3 86 18.350 45.720 25.030 1.00 0.00
<br>ATOM 1857 H21 DG3 86 19.090 46.250 24.600 1.00 0.00
<br>ATOM 1858 H22 DG3 86 18.200 45.590 26.020 1.00 0.00
<br>ATOM 1859 N3 DG3 86 16.690 44.090 24.990 1.00 0.00
<br>ATOM 1860 C4 DG3 86 15.990 43.270 24.170 1.00 0.00
<br>ATOM 1861 C3' DG3 86 12.600 41.300 27.150 1.00 0.00
<br>ATOM 1862 H3' DG3 86 11.700 40.720 26.920 1.00 0.00
<br>ATOM 1863 C2' DG3 86 12.940 42.170 25.940 1.00 0.00
<br>ATOM 1864 1H2' DG3 86 12.480 41.850 25.010 1.00 0.00
<br>ATOM 1865 2H2' DG3 86 12.630 43.200 26.160 1.00 0.00
<br>ATOM 1866 O3' DG3 86 12.400 42.100 28.290 1.00 0.00
<br>ATOM 1867 H3T DG3 86 12.270 41.510 29.030 1.00 0.00<br>ATOM 1868 Na Na 87 9.520 12.960 25.870 1.00 0.00
<br>ATOM 1869 Na Na 88 10.890 27.910 9.650 1.00 0.00
<br>ATOM 1870 Na Na 89 22.150 55.600 31.600 1.00 0.00
<br>ATOM 1871 Na Na 90 36.340 1.500 6.140 1.00 0.00
<br>ATOM 1872 Na Na 91 38.910 14.970 5.700 1.00 0.00
<br>ATOM 1873 Na Na 92 37.660 9.000 16.270 1.00 0.00
<br>ATOM 1874 Na Na 93 25.770 23.110 23.230 1.00 0.00
<br>ATOM 1875 Na Na 94 53.000 2.470 52.760 1.00 0.00
<br>ATOM 1876 Na Na 95 43.750 28.050 1.000 1.00 0.00
<br>ATOM 1877 Na Na 96 44.200 48.440 0.470 1.00 0.00
<br>ATOM 1878 Na Na 97 37.770 56.870 33.540 1.00 0.00
<br>ATOM 1879 Na Na 98 54.240 26.650 18.640 1.00 0.00
<br>ATOM 1880 Na Na 99 61.510 35.570 8.100 1.00 0.00
<br>ATOM 1881 Na Na 100 61.950 46.140 43.640 1.00 0.00
<br>ATOM 1882 OW SOL 101 28.260 19.060 16.930 1.00 0.00
<br>ATOM 1883 HW1 SOL 101 28.610 19.950 16.980 1.00 0.00
<br>ATOM 1884 HW SOL 101 27.370 19.140 17.290 1.00 0.00
<br>ATOM 1885 OW SOL 102 34.220 11.510 13.510 1.00 0.00
<br>ATOM 1886 HW1 SOL 102 34.420 11.880 12.660 1.00 0.00
<br>ATOM 1887 HW2 SOL 102 34.660 12.090 14.140 1.00 0.00
<br>ATOM 1888 OW SOL 103 18.620 9.650 16.990 1.00 0.00
<br>ATOM 1889 HW1 SOL 103 18.280 8.870 17.430 1.00 0.00
<br>ATOM 1890 HW2 SOL 103 19.560 9.620 17.160 1.00 0.00
<br>ATOM 1891 OW SOL 104 22.090 26.530 6.110 1.00 0.00
<br>ATOM 1892 HW1 SOL 104 21.560 25.810 6.460 1.00 0.00<br>