📄 mixed.pdb
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HEADER Generated by trjconv : Pure Methanol - Yummie! (and some water) t= 1.00000REMARK THIS IS A SIMULATION BOXCRYST1 46.935 23.474 23.500 90.00 90.00 90.00 P 1 1MODEL 1ATOM 1 Me1 MeO 1 11.540 13.880 7.100 1.00 0.00ATOM 2 O2 MeO 1 11.950 14.700 6.090 1.00 0.00ATOM 3 H3 MeO 1 11.780 15.620 6.440 1.00 0.00ATOM 4 Me1 MeO 2 6.960 22.180 20.590 1.00 0.00ATOM 5 O2 MeO 2 6.390 23.370 20.260 1.00 0.00ATOM 6 H3 MeO 2 6.230 23.170 19.290 1.00 0.00ATOM 7 Me1 MeO 3 46.100 1.460 5.400 1.00 0.00ATOM 8 O2 MeO 3 46.750 0.720 6.340 1.00 0.00ATOM 9 H3 MeO 3 46.150 0.320 7.030 1.00 0.00ATOM 10 Me1 MeO 4 11.620 20.350 13.230 1.00 0.00ATOM 11 O2 MeO 4 12.950 20.470 13.480 1.00 0.00ATOM 12 H3 MeO 4 13.330 20.240 12.590 1.00 0.00ATOM 13 Me1 MeO 5 7.900 1.410 15.030 1.00 0.00ATOM 14 O2 MeO 5 7.080 1.680 13.970 1.00 0.00ATOM 15 H3 MeO 5 7.020 0.900 13.350 1.00 0.00ATOM 16 Me1 MeO 6 9.780 19.130 9.330 1.00 0.00ATOM 17 O2 MeO 6 9.900 18.000 8.590 1.00 0.00ATOM 18 H3 MeO 6 9.010 17.540 8.570 1.00 0.00ATOM 19 Me1 MeO 7 11.380 21.900 4.530 1.00 0.00ATOM 20 O2 MeO 7 10.430 21.240 3.810 1.00 0.00ATOM 21 H3 MeO 7 10.660 21.120 2.850 1.00 0.00ATOM 22 Me1 MeO 8 8.870 11.200 19.810 1.00 0.00ATOM 23 O2 MeO 8 8.040 11.790 18.920 1.00 0.00ATOM 24 H3 MeO 8 7.110 11.840 19.280 1.00 0.00ATOM 25 Me1 MeO 9 2.950 18.830 0.850 1.00 0.00ATOM 26 O2 MeO 9 3.110 17.680 0.150 1.00 0.00ATOM 27 H3 MeO 9 2.840 17.700 -0.820 1.00 0.00ATOM 28 Me1 MeO 10 12.320 -0.010 14.940 1.00 0.00ATOM 29 O2 MeO 10 12.000 1.030 14.120 1.00 0.00ATOM 30 H3 MeO 10 12.210 1.890 14.600 1.00 0.00ATOM 31 Me1 MeO 11 15.090 16.760 3.280 1.00 0.00ATOM 32 O2 MeO 11 14.030 16.090 2.750 1.00 0.00ATOM 33 H3 MeO 11 14.160 15.140 3.020 1.00 0.00ATOM 34 Me1 MeO 12 16.920 11.190 6.970 1.00 0.00ATOM 35 O2 MeO 12 16.220 10.180 6.390 1.00 0.00ATOM 36 H3 MeO 12 16.850 9.650 5.820 1.00 0.00ATOM 37 Me1 MeO 13 11.540 13.500 12.660 1.00 0.00ATOM 38 O2 MeO 13 10.590 12.650 12.200 1.00 0.00ATOM 39 H3 MeO 13 10.630 11.770 12.670 1.00 0.00ATOM 40 Me1 MeO 14 8.000 17.560 12.480 1.00 0.00ATOM 41 O2 MeO 14 7.310 16.550 13.070 1.00 0.00ATOM 42 H3 MeO 14 7.620 15.660 12.720 1.00 0.00ATOM 43 Me1 MeO 15 17.720 14.630 18.610 1.00 0.00ATOM 44 O2 MeO 15 17.360 14.660 17.300 1.00 0.00ATOM 45 H3 MeO 15 17.880 15.460 16.990 1.00 0.00ATOM 46 Me1 MeO 16 15.420 13.420 3.580 1.00 0.00ATOM 47 O2 MeO 16 14.250 13.350 4.260 1.00 0.00ATOM 48 H3 MeO 16 14.430 12.640 4.930 1.00 0.00ATOM 49 Me1 MeO 17 15.940 13.380 10.250 1.00 0.00ATOM 50 O2 MeO 17 15.180 14.390 9.760 1.00 0.00ATOM 51 H3 MeO 17 15.030 14.230 8.780 1.00 0.00ATOM 52 Me1 MeO 18 11.690 1.730 21.260 1.00 0.00ATOM 53 O2 MeO 18 12.230 1.120 20.170 1.00 0.00ATOM 54 H3 MeO 18 12.520 0.190 20.380 1.00 0.00ATOM 55 Me1 MeO 19 20.940 21.900 16.690 1.00 0.00ATOM 56 O2 MeO 19 21.480 20.770 16.180 1.00 0.00ATOM 57 H3 MeO 19 20.980 20.360 15.420 1.00 0.00ATOM 58 Me1 MeO 20 7.990 17.500 18.320 1.00 0.00ATOM 59 O2 MeO 20 9.030 18.370 18.240 1.00 0.00ATOM 60 H3 MeO 20 8.740 19.210 17.790 1.00 0.00ATOM 61 Me1 MeO 21 20.960 4.980 1.420 1.00 0.00ATOM 62 O2 MeO 21 21.180 4.140 2.460 1.00 0.00ATOM 63 H3 MeO 21 20.980 3.190 2.240 1.00 0.00ATOM 64 Me1 MeO 22 16.670 15.070 23.140 1.00 0.00ATOM 65 O2 MeO 22 16.880 15.190 21.800 1.00 0.00ATOM 66 H3 MeO 22 16.240 14.600 21.320 1.00 0.00ATOM 67 Me1 MeO 23 21.830 23.080 10.680 1.00 0.00ATOM 68 O2 MeO 23 21.470 21.960 9.990 1.00 0.00ATOM 69 H3 MeO 23 20.840 21.390 10.530 1.00 0.00ATOM 70 Me1 MeO 24 21.780 17.990 3.470 1.00 0.00ATOM 71 O2 MeO 24 22.290 16.870 4.040 1.00 0.00ATOM 72 H3 MeO 24 21.700 16.650 4.810 1.00 0.00ATOM 73 Me1 MeO 25 1.840 16.660 18.680 1.00 0.00ATOM 74 O2 MeO 25 2.110 17.050 17.410 1.00 0.00ATOM 75 H3 MeO 25 3.050 16.700 17.340 1.00 0.00ATOM 76 Me1 MeO 26 5.500 18.690 15.130 1.00 0.00ATOM 77 O2 MeO 26 6.320 17.640 15.340 1.00 0.00ATOM 78 H3 MeO 26 6.660 17.530 14.410 1.00 0.00ATOM 79 Me1 MeO 27 18.080 17.340 9.060 1.00 0.00ATOM 80 O2 MeO 27 18.880 17.070 10.130 1.00 0.00ATOM 81 H3 MeO 27 19.840 17.020 9.860 1.00 0.00ATOM 82 Me1 MeO 28 5.540 9.970 22.470 1.00 0.00ATOM 83 O2 MeO 28 5.940 11.260 22.270 1.00 0.00ATOM 84 H3 MeO 28 6.100 11.650 23.180 1.00 0.00ATOM 85 Me1 MeO 29 12.060 23.270 1.260 1.00 0.00ATOM 86 O2 MeO 29 13.140 22.560 0.820 1.00 0.00ATOM 87 H3 MeO 29 13.700 23.120 0.220 1.00 0.00ATOM 88 Me1 MeO 30 6.650 8.830 13.300 1.00 0.00ATOM 89 O2 MeO 30 7.070 8.170 14.410 1.00 0.00ATOM 90 H3 MeO 30 6.400 8.370 15.120 1.00 0.00ATOM 91 Me1 MeO 31 24.720 6.960 10.300 1.00 0.00ATOM 92 O2 MeO 31 23.810 6.610 11.250 1.00 0.00ATOM 93 H3 MeO 31 23.050 6.240 10.740 1.00 0.00ATOM 94 Me1 MeO 32 20.220 5.470 15.060 1.00 0.00ATOM 95 O2 MeO 32 20.960 5.690 13.940 1.00 0.00ATOM 96 H3 MeO 32 20.650 6.580 13.600 1.00 0.00ATOM 97 Me1 MeO 33 8.710 0.720 2.540 1.00 0.00ATOM 98 O2 MeO 33 8.580 0.160 1.310 1.00 0.00ATOM 99 H3 MeO 33 8.970 -0.760 1.410 1.00 0.00ATOM 100 Me1 MeO 34 44.650 14.170 13.940 1.00 0.00ATOM 101 O2 MeO 34 43.810 14.320 15.000 1.00 0.00ATOM 102 H3 MeO 34 43.210 13.520 15.060 1.00 0.00ATOM 103 Me1 MeO 35 45.640 9.600 10.510 1.00 0.00ATOM 104 O2 MeO 35 46.030 9.600 11.820 1.00 0.00ATOM 105 H3 MeO 35 46.960 9.990 11.850 1.00 0.00ATOM 106 Me1 MeO 36 21.850 10.540 6.140 1.00 0.00ATOM 107 O2 MeO 36 20.970 11.120 5.280 1.00 0.00ATOM 108 H3 MeO 36 21.000 10.590 4.440 1.00 0.00ATOM 109 Me1 MeO 37 1.240 17.530 8.590 1.00 0.00ATOM 110 O2 MeO 37 2.000 18.570 9.030 1.00 0.00ATOM 111 H3 MeO 37 2.530 18.270 9.820 1.00 0.00ATOM 112 Me1 MeO 38 15.050 15.030 14.800 1.00 0.00ATOM 113 O2 MeO 38 13.850 15.660 14.920 1.00 0.00ATOM 114 H3 MeO 38 13.630 15.970 15.840 1.00 0.00ATOM 115 Me1 MeO 39 19.690 8.640 18.530 1.00 0.00ATOM 116 O2 MeO 39 18.940 9.780 18.440 1.00 0.00ATOM 117 H3 MeO 39 18.390 9.810 19.270 1.00 0.00ATOM 118 Me1 MeO 40 3.680 14.460 22.160 1.00 0.00ATOM 119 O2 MeO 40 3.800 13.210 21.650 1.00 0.00ATOM 120 H3 MeO 40 4.760 13.060 21.380 1.00 0.00ATOM 121 Me1 MeO 41 5.510 2.630 4.720 1.00 0.00ATOM 122 O2 MeO 41 4.480 3.340 4.180 1.00 0.00ATOM 123 H3 MeO 41 4.640 3.390 3.200 1.00 0.00ATOM 124 Me1 MeO 42 4.570 -0.070 0.410 1.00 0.00ATOM 125 O2 MeO 42 5.340 0.910 0.960 1.00 0.00ATOM 126 H3 MeO 42 6.280 0.630 0.750 1.00 0.00ATOM 127 Me1 MeO 43 14.260 5.100 2.990 1.00 0.00ATOM 128 O2 MeO 43 14.690 4.130 3.840 1.00 0.00ATOM 129 H3 MeO 43 13.920 3.870 4.420 1.00 0.00ATOM 130 Me1 MeO 44 46.550 18.520 21.420 1.00 0.00ATOM 131 O2 MeO 44 47.360 17.840 22.270 1.00 0.00ATOM 132 H3 MeO 44 46.880 17.840 23.150 1.00 0.00ATOM 133 Me1 MeO 45 20.070 19.970 5.940 1.00 0.00ATOM 134 O2 MeO 45 20.670 18.970 6.630 1.00 0.00ATOM 135 H3 MeO 45 21.010 19.320 7.500 1.00 0.00ATOM 136 Me1 MeO 46 18.200 0.830 23.770 1.00 0.00ATOM 137 O2 MeO 46 17.420 0.690 22.660 1.00 0.00ATOM 138 H3 MeO 46 17.800 1.210 21.900 1.00 0.00ATOM 139 Me1 MeO 47 24.680 21.810 13.760 1.00 0.00ATOM 140 O2 MeO 47 25.900 22.320 13.450 1.00 0.00ATOM 141 H3 MeO 47 25.940 22.270 12.450 1.00 0.00ATOM 142 Me1 MeO 48 14.650 8.150 9.740 1.00 0.00ATOM 143 O2 MeO 48 13.990 8.800 8.740 1.00 0.00ATOM 144 H3 MeO 48 14.010 8.110 8.020 1.00 0.00ATOM 145 Me1 MeO 49 5.170 9.850 4.710 1.00 0.00ATOM 146 O2 MeO 49 5.030 10.850 3.800 1.00 0.00ATOM 147 H3 MeO 49 4.080 11.160 3.690 1.00 0.00ATOM 148 Me1 MeO 50 11.090 10.080 22.710 1.00 0.00ATOM 149 O2 MeO 50 12.210 9.300 22.630 1.00 0.00ATOM 150 H3 MeO 50 12.430 9.250 21.660 1.00 0.00ATOM 151 Me1 MeO 51 5.260 12.580 15.240 1.00 0.00ATOM 152 O2 MeO 51 5.500 13.890 14.990 1.00 0.00ATOM 153 H3 MeO 51 6.240 14.070 15.630 1.00 0.00ATOM 154 Me1 MeO 52 8.940 20.980 15.800 1.00 0.00ATOM 155 O2 MeO 52 7.990 20.160 16.330 1.00 0.00ATOM 156 H3 MeO 52 7.100 20.280 15.900 1.00 0.00ATOM 157 Me1 MeO 53 2.800 20.420 17.310 1.00 0.00ATOM 158 O2 MeO 53 3.650 20.980 18.210 1.00 0.00ATOM 159 H3 MeO 53 3.150 21.480 18.920 1.00 0.00ATOM 160 Me1 MeO 54 23.200 21.770 7.290 1.00 0.00ATOM 161 O2 MeO 54 23.700 21.360 8.480 1.00 0.00ATOM 162 H3 MeO 54 23.000 21.610 9.150 1.00 0.00ATOM 163 Me1 MeO 55 20.220 12.680 9.790 1.00 0.00ATOM 164 O2 MeO 55 20.410 11.520 9.110 1.00 0.00ATOM 165 H3 MeO 55 21.130 11.750 8.460 1.00 0.00ATOM 166 Me1 MeO 56 3.430 6.010 6.550 1.00 0.00ATOM 167 O2 MeO 56 4.360 5.030 6.470 1.00 0.00ATOM 168 H3 MeO 56 4.250 4.480 5.650 1.00 0.00ATOM 169 Me1 MeO 57 19.670 15.490 6.620 1.00 0.00ATOM 170 O2 MeO 57 20.590 16.230 5.940 1.00 0.00ATOM 171 H3 MeO 57 20.790 17.090 6.420 1.00 0.00ATOM 172 Me1 MeO 58 9.120 4.010 1.310 1.00 0.00ATOM 173 O2 MeO 58 10.270 4.700 1.470 1.00 0.00ATOM 174 H3 MeO 58 10.270 5.100 2.380 1.00 0.00ATOM 175 Me1 MeO 59 2.920 9.500 8.540 1.00 0.00ATOM 176 O2 MeO 59 2.760 9.390 9.890 1.00 0.00ATOM 177 H3 MeO 59 2.750 8.390 9.990 1.00 0.00ATOM 178 Me1 MeO 60 45.770 14.280 9.650 1.00 0.00ATOM 179 O2 MeO 60 46.860 13.600 9.180 1.00 0.00ATOM 180 H3 MeO 60 47.490 13.700 9.950 1.00 0.00ATOM 181 Me1 MeO 61 8.570 13.880 16.310 1.00 0.00ATOM 182 O2 MeO 61 7.460 13.630 17.070 1.00 0.00ATOM 183 H3 MeO 61 7.780 12.910 17.680 1.00 0.00ATOM 184 Me1 MeO 62 12.170 9.940 19.050 1.00 0.00ATOM 185 O2 MeO 62 12.590 9.170 20.080 1.00 0.00ATOM 186 H3 MeO 62 13.310 8.610 19.680 1.00 0.00ATOM 187 Me1 MeO 63 25.120 15.000 3.090 1.00 0.00ATOM 188 O2 MeO 63 24.830 16.300 3.370 1.00 0.00ATOM 189 H3 MeO 63 23.880 16.360 3.680 1.00 0.00ATOM 190 Me1 MeO 64 2.120 21.840 21.290 1.00 0.00ATOM 191 O2 MeO 64 2.120 22.350 20.030 1.00 0.00ATOM 192 H3 MeO 64 1.270 22.880 19.980 1.00 0.00⌨️ 快捷键说明
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