📄 methanol.pdb
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HEADER Pure Methanol - Yummie!REMARK THIS IS A SIMULATION BOXCRYST1 23.619 23.619 23.619 90.00 90.00 90.00 P 1 1MODEL 1ATOM 1 Me1 MeO 1 10.900 13.740 8.940 1.00 0.00ATOM 2 O2 MeO 1 12.050 14.390 8.630 1.00 0.00ATOM 3 H3 MeO 1 11.740 15.330 8.510 1.00 0.00ATOM 4 Me1 MeO 2 8.800 22.170 21.070 1.00 0.00ATOM 5 O2 MeO 2 9.420 23.380 21.010 1.00 0.00ATOM 6 H3 MeO 2 10.410 23.310 20.890 1.00 0.00ATOM 7 Me1 MeO 3 0.540 2.700 5.830 1.00 0.00ATOM 8 O2 MeO 3 1.060 1.560 6.370 1.00 0.00ATOM 9 H3 MeO 3 0.280 1.240 6.910 1.00 0.00ATOM 10 Me1 MeO 4 11.530 20.540 12.090 1.00 0.00ATOM 11 O2 MeO 4 12.470 20.870 11.150 1.00 0.00ATOM 12 H3 MeO 4 12.960 20.140 10.690 1.00 0.00ATOM 13 Me1 MeO 5 8.650 0.580 14.510 1.00 0.00ATOM 14 O2 MeO 5 8.120 1.470 13.630 1.00 0.00ATOM 15 H3 MeO 5 8.430 1.240 12.710 1.00 0.00ATOM 16 Me1 MeO 6 8.270 19.060 9.950 1.00 0.00ATOM 17 O2 MeO 6 8.850 18.050 9.240 1.00 0.00ATOM 18 H3 MeO 6 8.270 17.230 9.310 1.00 0.00ATOM 19 Me1 MeO 7 11.160 20.720 4.870 1.00 0.00ATOM 20 O2 MeO 7 10.030 21.450 4.750 1.00 0.00ATOM 21 H3 MeO 7 9.870 21.790 3.820 1.00 0.00ATOM 22 Me1 MeO 8 8.560 11.920 19.510 1.00 0.00ATOM 23 O2 MeO 8 7.740 12.940 19.130 1.00 0.00ATOM 24 H3 MeO 8 6.830 12.910 19.530 1.00 0.00ATOM 25 Me1 MeO 9 3.570 19.730 3.820 1.00 0.00ATOM 26 O2 MeO 9 3.410 19.040 2.660 1.00 0.00ATOM 27 H3 MeO 9 2.450 18.780 2.580 1.00 0.00ATOM 28 Me1 MeO 10 13.590 -0.000 15.800 1.00 0.00ATOM 29 O2 MeO 10 13.350 1.010 14.920 1.00 0.00ATOM 30 H3 MeO 10 13.000 1.790 15.440 1.00 0.00ATOM 31 Me1 MeO 11 15.040 16.270 3.180 1.00 0.00ATOM 32 O2 MeO 11 14.610 15.180 2.500 1.00 0.00ATOM 33 H3 MeO 11 15.060 14.410 2.970 1.00 0.00ATOM 34 Me1 MeO 12 17.080 9.720 6.120 1.00 0.00ATOM 35 O2 MeO 12 16.840 11.050 5.950 1.00 0.00ATOM 36 H3 MeO 12 17.560 11.480 5.410 1.00 0.00ATOM 37 Me1 MeO 13 11.700 14.010 14.770 1.00 0.00ATOM 38 O2 MeO 13 11.500 12.880 14.050 1.00 0.00ATOM 39 H3 MeO 13 11.420 12.130 14.710 1.00 0.00ATOM 40 Me1 MeO 14 9.460 16.690 13.170 1.00 0.00ATOM 41 O2 MeO 14 8.390 15.950 13.560 1.00 0.00ATOM 42 H3 MeO 14 8.580 14.980 13.410 1.00 0.00ATOM 43 Me1 MeO 15 17.670 14.070 16.150 1.00 0.00ATOM 44 O2 MeO 15 17.100 14.590 17.270 1.00 0.00ATOM 45 H3 MeO 15 17.770 15.150 17.760 1.00 0.00ATOM 46 Me1 MeO 16 15.880 12.000 2.770 1.00 0.00ATOM 47 O2 MeO 16 15.640 13.120 3.510 1.00 0.00ATOM 48 H3 MeO 16 15.250 12.740 4.350 1.00 0.00ATOM 49 Me1 MeO 17 15.720 13.190 10.890 1.00 0.00ATOM 50 O2 MeO 17 15.090 14.080 10.070 1.00 0.00ATOM 51 H3 MeO 17 15.540 14.190 9.180 1.00 0.00ATOM 52 Me1 MeO 18 12.630 1.730 20.610 1.00 0.00ATOM 53 O2 MeO 18 11.880 0.900 19.840 1.00 0.00ATOM 54 H3 MeO 18 12.250 -0.020 19.740 1.00 0.00ATOM 55 Me1 MeO 19 20.580 20.490 16.150 1.00 0.00ATOM 56 O2 MeO 19 21.130 19.330 15.700 1.00 0.00ATOM 57 H3 MeO 19 20.520 19.040 14.970 1.00 0.00ATOM 58 Me1 MeO 20 7.960 18.810 19.860 1.00 0.00ATOM 59 O2 MeO 20 8.940 18.300 19.060 1.00 0.00ATOM 60 H3 MeO 20 9.250 19.000 18.410 1.00 0.00ATOM 61 Me1 MeO 21 22.210 5.490 1.790 1.00 0.00ATOM 62 O2 MeO 21 21.160 5.570 2.650 1.00 0.00ATOM 63 H3 MeO 21 20.280 5.420 2.190 1.00 0.00ATOM 64 Me1 MeO 22 16.600 14.730 23.430 1.00 0.00ATOM 65 O2 MeO 22 16.860 14.780 22.100 1.00 0.00ATOM 66 H3 MeO 22 16.120 14.310 21.630 1.00 0.00ATOM 67 Me1 MeO 23 21.490 1.450 11.130 1.00 0.00ATOM 68 O2 MeO 23 20.930 0.760 10.110 1.00 0.00ATOM 69 H3 MeO 23 20.000 0.460 10.330 1.00 0.00ATOM 70 Me1 MeO 24 20.350 15.500 3.160 1.00 0.00ATOM 71 O2 MeO 24 20.810 15.860 4.380 1.00 0.00ATOM 72 H3 MeO 24 20.160 16.510 4.770 1.00 0.00ATOM 73 Me1 MeO 25 1.460 15.010 17.200 1.00 0.00ATOM 74 O2 MeO 25 2.240 15.610 18.140 1.00 0.00ATOM 75 H3 MeO 25 3.070 16.090 17.860 1.00 0.00ATOM 76 Me1 MeO 26 7.050 18.600 15.020 1.00 0.00ATOM 77 O2 MeO 26 6.520 17.350 15.040 1.00 0.00ATOM 78 H3 MeO 26 7.160 16.700 14.620 1.00 0.00ATOM 79 Me1 MeO 27 18.030 16.430 9.210 1.00 0.00ATOM 80 O2 MeO 27 18.740 17.110 10.140 1.00 0.00ATOM 81 H3 MeO 27 19.110 17.920 9.700 1.00 0.00ATOM 82 Me1 MeO 28 5.280 9.010 21.650 1.00 0.00ATOM 83 O2 MeO 28 5.620 10.310 21.440 1.00 0.00ATOM 84 H3 MeO 28 5.510 10.750 22.330 1.00 0.00ATOM 85 Me1 MeO 29 15.740 21.840 22.290 1.00 0.00ATOM 86 O2 MeO 29 15.370 22.410 23.470 1.00 0.00ATOM 87 H3 MeO 29 14.710 23.150 23.320 1.00 0.00ATOM 88 Me1 MeO 30 7.740 9.100 14.280 1.00 0.00ATOM 89 O2 MeO 30 8.020 8.330 15.360 1.00 0.00ATOM 90 H3 MeO 30 7.240 8.460 15.980 1.00 0.00ATOM 91 Me1 MeO 31 22.290 7.960 9.830 1.00 0.00ATOM 92 O2 MeO 31 22.070 7.830 11.170 1.00 0.00ATOM 93 H3 MeO 31 21.220 7.340 11.350 1.00 0.00ATOM 94 Me1 MeO 32 19.130 5.940 15.270 1.00 0.00ATOM 95 O2 MeO 32 18.560 7.100 15.690 1.00 0.00ATOM 96 H3 MeO 32 17.920 7.420 14.990 1.00 0.00ATOM 97 Me1 MeO 33 9.890 23.340 1.480 1.00 0.00ATOM 98 O2 MeO 33 10.300 22.250 2.170 1.00 0.00ATOM 99 H3 MeO 33 10.550 21.550 1.500 1.00 0.00ATOM 100 Me1 MeO 34 0.680 12.980 13.690 1.00 0.00ATOM 101 O2 MeO 34 1.890 12.580 14.160 1.00 0.00ATOM 102 H3 MeO 34 2.620 13.250 14.000 1.00 0.00ATOM 103 Me1 MeO 35 -0.140 11.430 10.950 1.00 0.00ATOM 104 O2 MeO 35 0.580 10.740 10.020 1.00 0.00ATOM 105 H3 MeO 35 1.080 10.080 10.580 1.00 0.00ATOM 106 Me1 MeO 36 20.450 8.710 5.310 1.00 0.00ATOM 107 O2 MeO 36 20.230 9.660 6.260 1.00 0.00ATOM 108 H3 MeO 36 21.070 9.620 6.810 1.00 0.00ATOM 109 Me1 MeO 37 1.150 18.890 11.300 1.00 0.00ATOM 110 O2 MeO 37 1.970 18.380 10.340 1.00 0.00ATOM 111 H3 MeO 37 2.930 18.270 10.580 1.00 0.00ATOM 112 Me1 MeO 38 14.910 17.060 16.760 1.00 0.00ATOM 113 O2 MeO 38 13.760 16.560 17.290 1.00 0.00ATOM 114 H3 MeO 38 13.520 17.090 18.100 1.00 0.00ATOM 115 Me1 MeO 39 18.690 7.460 19.300 1.00 0.00ATOM 116 O2 MeO 39 17.930 8.540 19.000 1.00 0.00ATOM 117 H3 MeO 39 17.140 8.510 19.620 1.00 0.00ATOM 118 Me1 MeO 40 2.840 15.180 21.160 1.00 0.00ATOM 119 O2 MeO 40 3.620 14.070 21.240 1.00 0.00ATOM 120 H3 MeO 40 4.220 14.010 20.450 1.00 0.00ATOM 121 Me1 MeO 41 6.310 3.560 4.590 1.00 0.00ATOM 122 O2 MeO 41 5.550 4.490 3.950 1.00 0.00ATOM 123 H3 MeO 41 5.530 4.210 2.990 1.00 0.00ATOM 124 Me1 MeO 42 5.300 -0.330 -0.110 1.00 0.00ATOM 125 O2 MeO 42 5.390 0.770 0.680 1.00 0.00ATOM 126 H3 MeO 42 5.330 0.590 1.660 1.00 0.00ATOM 127 Me1 MeO 43 13.470 5.560 2.830 1.00 0.00ATOM 128 O2 MeO 43 13.800 4.260 3.070 1.00 0.00ATOM 129 H3 MeO 43 13.040 3.630 3.250 1.00 0.00ATOM 130 Me1 MeO 44 1.180 19.290 22.660 1.00 0.00ATOM 131 O2 MeO 44 -0.120 18.880 22.630 1.00 0.00ATOM 132 H3 MeO 44 -0.380 18.890 21.660 1.00 0.00ATOM 133 Me1 MeO 45 19.850 19.190 4.700 1.00 0.00ATOM 134 O2 MeO 45 19.760 18.020 5.390 1.00 0.00ATOM 135 H3 MeO 45 20.430 18.180 6.120 1.00 0.00ATOM 136 Me1 MeO 46 18.320 2.130 24.070 1.00 0.00ATOM 137 O2 MeO 46 17.310 1.890 23.190 1.00 0.00ATOM 138 H3 MeO 46 17.440 2.570 22.470 1.00 0.00ATOM 139 Me1 MeO 47 21.150 21.740 12.430 1.00 0.00ATOM 140 O2 MeO 47 21.340 21.280 11.160 1.00 0.00ATOM 141 H3 MeO 47 22.280 21.530 10.920 1.00 0.00ATOM 142 Me1 MeO 48 14.790 9.840 9.630 1.00 0.00ATOM 143 O2 MeO 48 13.550 9.680 9.090 1.00 0.00ATOM 144 H3 MeO 48 13.750 9.140 8.270 1.00 0.00ATOM 145 Me1 MeO 49 4.380 10.710 3.330 1.00 0.00ATOM 146 O2 MeO 49 4.060 11.160 2.080 1.00 0.00ATOM 147 H3 MeO 49 3.330 11.840 2.020 1.00 0.00ATOM 148 Me1 MeO 50 9.220 8.950 22.100 1.00 0.00ATOM 149 O2 MeO 50 10.250 9.830 21.970 1.00 0.00ATOM 150 H3 MeO 50 10.460 9.940 21.000 1.00 0.00ATOM 151 Me1 MeO 51 5.460 12.240 14.970 1.00 0.00ATOM 152 O2 MeO 51 5.610 13.590 14.940 1.00 0.00ATOM 153 H3 MeO 51 6.350 13.860 15.550 1.00 0.00ATOM 154 Me1 MeO 52 9.440 21.230 16.480 1.00 0.00ATOM 155 O2 MeO 52 8.700 20.390 17.250 1.00 0.00ATOM 156 H3 MeO 52 7.910 20.930 17.520 1.00 0.00ATOM 157 Me1 MeO 53 4.150 20.280 17.540 1.00 0.00ATOM 158 O2 MeO 53 4.580 20.770 18.740 1.00 0.00ATOM 159 H3 MeO 53 3.760 21.180 19.150 1.00 0.00ATOM 160 Me1 MeO 54 21.750 -0.110 7.190 1.00 0.00ATOM 161 O2 MeO 54 22.220 1.050 7.720 1.00 0.00ATOM 162 H3 MeO 54 21.660 1.280 8.520 1.00 0.00ATOM 163 Me1 MeO 55 18.490 10.490 10.260 1.00 0.00ATOM 164 O2 MeO 55 18.850 9.310 9.680 1.00 0.00ATOM 165 H3 MeO 55 19.460 9.530 8.910 1.00 0.00ATOM 166 Me1 MeO 56 5.900 7.250 5.930 1.00 0.00ATOM 167 O2 MeO 56 5.890 5.920 6.180 1.00 0.00ATOM 168 H3 MeO 56 5.660 5.500 5.300 1.00 0.00ATOM 169 Me1 MeO 57 20.320 13.510 8.230 1.00 0.00ATOM 170 O2 MeO 57 21.100 12.590 7.590 1.00 0.00ATOM 171 H3 MeO 57 22.000 13.010 7.640 1.00 0.00ATOM 172 Me1 MeO 58 9.050 4.170 1.930 1.00 0.00ATOM 173 O2 MeO 58 10.280 3.580 2.000 1.00 0.00ATOM 174 H3 MeO 58 10.520 3.620 2.970 1.00 0.00ATOM 175 Me1 MeO 59 3.360 9.990 8.200 1.00 0.00ATOM 176 O2 MeO 59 2.970 9.300 9.310 1.00 0.00ATOM 177 H3 MeO 59 2.660 8.390 9.030 1.00 0.00ATOM 178 Me1 MeO 60 -0.550 15.000 11.000 1.00 0.00ATOM 179 O2 MeO 60 0.460 14.600 10.190 1.00 0.00ATOM 180 H3 MeO 60 1.350 14.690 10.650 1.00 0.00ATOM 181 Me1 MeO 61 8.630 15.260 16.840 1.00 0.00ATOM 182 O2 MeO 61 7.900 14.160 16.530 1.00 0.00ATOM 183 H3 MeO 61 8.030 13.590 17.340 1.00 0.00ATOM 184 Me1 MeO 62 11.970 10.830 19.070 1.00 0.00ATOM 185 O2 MeO 62 11.210 9.790 19.500 1.00 0.00ATOM 186 H3 MeO 62 11.600 9.020 18.980 1.00 0.00ATOM 187 Me1 MeO 63 23.080 12.900 4.170 1.00 0.00ATOM 188 O2 MeO 63 23.330 14.150 3.690 1.00 0.00ATOM 189 H3 MeO 63 22.440 14.590 3.710 1.00 0.00ATOM 190 Me1 MeO 64 2.160 22.630 20.560 1.00 0.00ATOM 191 O2 MeO 64 1.970 21.640 19.650 1.00 0.00ATOM 192 H3 MeO 64 1.130 21.110 19.800 1.00 0.00ATOM 193 Me1 MeO 65 2.430 6.610 7.230 1.00 0.00ATOM 194 O2 MeO 65 2.460 6.930 8.550 1.00 0.00ATOM 195 H3 MeO 65 2.070 6.110 8.960 1.00 0.00ATOM 196 Me1 MeO 66 20.690 5.110 6.140 1.00 0.00ATOM 197 O2 MeO 66 21.750 5.520 5.390 1.00 0.00ATOM 198 H3 MeO 66 21.360 5.410 4.480 1.00 0.00ATOM 199 Me1 MeO 67 0.960 21.540 16.150 1.00 0.00ATOM 200 O2 MeO 67 1.680 20.560 15.550 1.00 0.00ATOM 201 H3 MeO 67 0.960 19.880 15.400 1.00 0.00ATOM 202 Me1 MeO 68 14.520 12.530 17.030 1.00 0.00ATOM 203 O2 MeO 68 15.150 13.120 18.080 1.00 0.00ATOM 204 H3 MeO 68 15.880 13.730 17.770 1.00 0.00ATOM 205 Me1 MeO 69 5.090 18.330 22.990 1.00 0.00ATOM 206 O2 MeO 69 6.440 18.230 22.860 1.00 0.00ATOM 207 H3 MeO 69 6.650 17.260 22.750 1.00 0.00ATOM 208 Me1 MeO 70 13.110 4.370 10.250 1.00 0.00ATOM 209 O2 MeO 70 14.430 4.650 10.110 1.00 0.00ATOM 210 H3 MeO 70 14.660 4.990 11.020 1.00 0.00ATOM 211 Me1 MeO 71 22.660 0.950 0.250 1.00 0.00ATOM 212 O2 MeO 71 23.680 1.610 -0.350 1.00 0.00ATOM 213 H3 MeO 71 24.300 1.990 0.340 1.00 0.00ATOM 214 Me1 MeO 72 0.960 8.650 3.210 1.00 0.00ATOM 215 O2 MeO 72 0.680 8.670 1.870 1.00 0.00⌨️ 快捷键说明
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