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dcm.gro
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DCM
5000
1DCM CL 1 2.608 0.644 0.382 0.0403 0.0349 -0.2149
1DCM C 2 2.536 0.732 0.244 0.0559 0.0757 -0.1968
1DCM H 3 2.608 0.717 0.162 -0.5248 1.0273 -0.9012
1DCM H 4 2.543 0.839 0.270 -1.7044 -0.2899 2.0884
1DCM CL 5 2.366 0.676 0.239 0.1375 -0.1717 -0.2189
2DCM CL 6 2.753 0.646 0.735 0.2461 0.0186 0.0840
2DCM C 7 2.716 0.561 0.887 -0.5686 0.0469 -0.0916
2DCM H 8 2.634 0.495 0.856 -1.2224 1.0544 -0.5406
2DCM H 9 2.684 0.626 0.970 -0.5139 -1.8483 1.5206
2DCM CL 10 2.863 0.477 0.945 -0.4038 0.2074 -0.2758
3DCM CL 11 2.359 3.088 1.900 -0.1535 0.2125 0.1655
3DCM C 12 2.264 3.119 1.752 0.0407 -0.1412 -0.0349
3DCM H 13 2.208 3.025 1.739 0.4177 -0.1532 -1.8832
3DCM H 14 2.333 3.122 1.667 -1.0155 0.1857 -0.9031
3DCM CL 15 2.161 3.265 1.753 -0.2882 -0.3710 -0.1940
4DCM CL 16 0.902 1.526 2.982 -0.1204 0.0922 -0.0918
4DCM C 17 0.947 1.524 3.155 0.5156 -0.4563 -0.2574
4DCM H 18 0.916 1.624 3.188 -1.0946 -0.7055 -0.9014
4DCM H 19 1.055 1.504 3.160 0.5613 -0.3196 -0.6404
4DCM CL 20 0.844 1.423 3.261 -0.4448 0.5692 -0.1876
5DCM CL 21 3.098 4.859 2.619 -0.2690 -0.1565 0.6052
5DCM C 22 3.195 4.710 2.627 -0.1185 -0.1140 -0.3339
5DCM H 23 3.192 4.676 2.731 -2.5776 2.1438 0.4143
5DCM H 24 3.301 4.728 2.604 -0.1370 1.1720 0.5158
5DCM CL 25 3.150 4.578 2.515 -0.2232 -0.4132 0.0576
6DCM CL 26 1.894 0.978 3.579 0.0780 -0.4048 -0.5429
6DCM C 27 1.804 0.863 3.682 -0.1678 0.2103 -0.0680
6DCM H 28 1.789 0.895 3.787 -1.3168 -2.1921 0.5616
6DCM H 29 1.862 0.771 3.694 1.0024 1.0595 1.1075
6DCM CL 30 1.663 0.802 3.593 -0.1159 -0.3415 0.2265
7DCM CL 31 1.472 3.494 3.421 0.2869 0.4621 0.0660
7DCM C 32 1.366 3.500 3.277 -0.0163 -0.2349 0.2557
7DCM H 33 1.438 3.537 3.203 0.2960 -1.9751 -0.3570
7DCM H 34 1.287 3.574 3.299 -0.4214 -1.0270 1.5511
7DCM CL 35 1.300 3.349 3.210 0.3086 -0.3244 0.1349
8DCM CL 36 0.377 3.783 3.429 -0.6915 -0.3660 0.5977
8DCM C 37 0.265 3.790 3.290 0.4161 -0.2949 -0.3042
8DCM H 38 0.309 3.762 3.193 1.2884 1.1751 -0.3775
8DCM H 39 0.249 3.899 3.289 -1.3584 -0.5320 -0.2241
8DCM CL 40 0.140 3.664 3.298 0.1132 0.0271 0.0770
9DCM CL 41 0.159 1.273 0.277 0.1581 -0.1188 -0.3191
9DCM C 42 0.063 1.415 0.327 0.1639 -0.2615 0.1004
9DCM H 43 -0.033 1.398 0.379 -0.7675 1.2093 -1.0360
9DCM H 44 0.040 1.468 0.233 0.6303 -0.6528 -0.2402
9DCM CL 45 0.171 1.510 0.433 0.1631 -0.0524 -0.0864
10DCM CL 46 3.004 2.616 0.590 -0.2983 -0.2376 0.4667
10DCM C 47 2.957 2.710 0.446 0.1496 -0.1041 0.4058
10DCM H 48 2.873 2.672 0.385 2.1603 -0.2708 -2.4714
10DCM H 49 3.035 2.703 0.369 -1.3484 -1.9019 -1.0777
10DCM CL 50 2.974 2.882 0.491 -0.1892 -0.1063 0.5486
11DCM CL 51 0.519 1.089 4.585 -0.0386 0.0349 0.5941
11DCM C 52 0.693 1.067 4.553 -0.1279 -0.4476 0.4289
11DCM H 53 0.713 0.959 4.547 -2.0144 -0.8475 0.5852
11DCM H 54 0.766 1.094 4.631 1.0439 -1.1553 -0.3809
11DCM CL 55 0.741 1.167 4.413 0.0072 -0.3792 0.5239
12DCM CL 56 0.211 4.768 2.112 -0.4239 0.2203 -0.2322
12DCM C 57 0.099 4.733 1.977 -0.0754 0.0932 -0.4903
12DCM H 58 0.158 4.727 1.885 2.9962 3.2887 1.0523
12DCM H 59 0.014 4.801 1.963 -1.5979 -1.8447 -1.1305
12DCM CL 60 0.036 4.570 2.015 0.3234 0.0997 0.2271
13DCM CL 61 4.374 1.678 2.829 -0.0520 -0.3261 0.1971
13DCM C 62 4.405 1.773 2.977 0.0140 0.1078 -0.0924
13DCM H 63 4.304 1.761 3.018 0.1421 -0.2191 0.1257
13DCM H 64 4.408 1.880 2.950 -2.4199 0.5992 1.2802
13DCM CL 65 4.532 1.711 3.086 0.1863 0.1270 -0.2812
14DCM CL 66 1.031 1.371 3.495 -0.2535 0.5091 0.1366
14DCM C 67 1.064 1.321 3.663 0.1711 -0.5217 -0.2512
14DCM H 68 1.153 1.381 3.689 -1.7308 1.2527 2.6007
14DCM H 69 1.079 1.212 3.670 -1.3057 -0.6393 1.7966
14DCM CL 70 0.945 1.382 3.780 -0.3088 -0.5461 -0.7212
15DCM CL 71 2.601 4.034 4.834 -0.2082 0.1335 0.4936
15DCM C 72 2.761 3.957 4.818 -0.1096 0.4233 0.0788
15DCM H 73 2.746 3.856 4.777 -0.1437 1.2118 -1.9896
15DCM H 74 2.803 3.952 4.919 -0.9326 -0.1526 0.4029
15DCM CL 75 2.870 4.039 4.703 -0.1700 0.2742 -0.0860
16DCM CL 76 3.834 3.271 2.267 -0.1746 0.1296 -0.1240
16DCM C 77 3.941 3.256 2.409 -0.6164 0.4013 0.2390
16DCM H 78 3.945 3.357 2.453 1.1453 0.3753 0.2154
16DCM H 79 4.045 3.231 2.384 -0.6445 -1.2863 1.6535
16DCM CL 80 3.898 3.126 2.524 -0.1560 0.0676 0.0357
17DCM CL 81 4.623 0.969 0.229 -0.4518 0.2450 0.5685
17DCM C 82 4.484 1.076 0.195 -0.5775 0.0495 0.4640
17DCM H 83 4.416 1.070 0.281 -0.0334 0.8461 0.9673
17DCM H 84 4.428 1.026 0.115 -0.4526 -1.9403 1.5771
17DCM CL 85 4.536 1.242 0.154 0.2498 -0.2963 0.0897
18DCM CL 86 1.734 3.232 4.785 0.0438 0.5096 0.2379
18DCM C 87 1.693 3.231 4.959 -0.0257 0.1380 0.2216
18DCM H 88 1.668 3.130 4.992 2.5609 -1.6817 -2.8231
18DCM H 89 1.613 3.306 4.976 0.1199 0.0522 1.3222
18DCM CL 90 1.824 3.279 5.070 0.2099 0.2157 -0.0877
19DCM CL 91 4.452 4.526 2.640 0.2821 -0.5282 -0.1728
19DCM C 92 4.422 4.357 2.593 -0.6826 -0.6879 0.9579
19DCM H 93 4.419 4.303 2.689 -0.1400 -2.8965 -0.1915
19DCM H 94 4.507 4.322 2.532 -0.7903 -1.5632 1.2864
19DCM CL 95 4.274 4.327 2.497 -0.1560 -0.0059 -0.0869
20DCM CL 96 2.616 1.853 1.674 0.0490 -0.2216 0.1505
20DCM C 97 2.720 1.710 1.697 -0.1290 -0.2322 0.9129
20DCM H 98 2.742 1.711 1.805 -0.5181 -0.2107 0.9951
20DCM H 99 2.814 1.726 1.642 0.0670 -3.4992 0.1022
20DCM CL 100 2.626 1.567 1.645 -0.0956 0.1208 -0.1295
21DCM CL 101 3.792 3.546 4.805 0.0961 0.3102 0.2040
21DCM C 102 3.826 3.553 4.630 -0.2183 -0.0369 0.1282
21DCM H 103 3.901 3.634 4.634 1.0256 -1.1836 1.7205
21DCM H 104 3.734 3.584 4.579 0.0701 -0.0715 -0.4172
21DCM CL 105 3.897 3.395 4.583 -0.2427 -0.0491 0.1298
22DCM CL 106 0.787 0.094 3.843 0.2276 -0.1887 -0.2132
22DCM C 107 0.708 0.117 3.684 -0.0751 -0.4104 -0.0947
22DCM H 108 0.608 0.135 3.725 0.7518 0.8177 1.5431
22DCM H 109 0.714 0.033 3.614 -0.0766 -1.6099 1.2904
22DCM CL 110 0.776 0.261 3.604 -0.0364 -0.1671 0.3691
23DCM CL 111 0.833 0.905 0.057 0.4508 -0.0569 0.2342
23DCM C 112 0.759 0.754 0.116 0.2326 -0.0493 -0.0143
23DCM H 113 0.684 0.761 0.197 2.3109 1.0760 1.9124
23DCM H 114 0.848 0.726 0.174 -1.4374 -1.3065 2.1382
23DCM CL 115 0.718 0.651 -0.024 0.1398 0.0747 -0.0784
24DCM CL 116 2.441 0.239 0.807 -0.4731 -0.6416 -0.3160
24DCM C 117 2.487 0.117 0.929 0.0974 -0.1593 -0.0446
24DCM H 118 2.516 0.023 0.879 -0.2951 0.4440 -1.4343
24DCM H 119 2.392 0.096 0.981 -0.2680 0.9969 -0.2375
24DCM CL 120 2.618 0.179 1.033 -0.1267 0.0428 0.1167
25DCM CL 121 1.236 2.633 4.291 0.2419 0.0896 0.2324
25DCM C 122 1.263 2.787 4.378 -0.2484 0.4982 -0.3314
25DCM H 123 1.161 2.817 4.403 -0.5978 0.7582 -1.9813
25DCM H 124 1.309 2.860 4.309 0.3813 0.2431 -0.1911
25DCM CL 125 1.365 2.753 4.521 -0.3004 0.1090 -0.3837
26DCM CL 126 2.635 0.192 4.328 -0.2692 0.1129 -0.1207
26DCM C 127 2.735 0.079 4.423 0.0709 0.3247 -0.2253
26DCM H 128 2.816 0.027 4.370 1.3135 2.6750 -0.7622
26DCM H 129 2.675 0.001 4.473 -0.6643 1.3901 0.6116
26DCM CL 130 2.811 0.171 4.556 0.5125 -0.2951 -0.0413
27DCM CL 131 2.465 0.566 2.302 0.1732 -0.2087 -0.1169
27DCM C 132 2.574 0.662 2.406 0.1347 -0.2190 -0.0673
27DCM H 133 2.634 0.724 2.338 0.0872 -1.5621 -1.3854
27DCM H 134 2.652 0.591 2.437 0.4960 -0.4567 -1.4501
27DCM CL 135 2.485 0.753 2.531 -0.3486 -0.6797 -0.0720
28DCM CL 136 0.192 1.060 1.750 -0.3453 -0.0265 -0.0121
28DCM C 137 0.207 1.214 1.660 -0.3192 -0.2127 -0.3265
28DCM H 138 0.267 1.204 1.568 -1.1808 -2.0842 -0.7317
28DCM H 139 0.242 1.298 1.722 -1.9467 0.5191 -0.3464
28DCM CL 140 0.050 1.265 1.592 -0.1921 0.3128 -0.2344
29DCM CL 141 1.886 0.598 0.290 0.3043 0.0073 0.3282
29DCM C 142 1.970 0.600 0.133 -0.3922 -0.0521 -0.0488
29DCM H 143 1.960 0.507 0.075 1.2500 0.7935 -1.8136
29DCM H 144 2.078 0.614 0.148 -0.2488 -1.5589 0.5662
29DCM CL 145 1.896 0.733 0.040 -0.4165 0.2302 0.3751
30DCM CL 146 4.716 1.217 2.059 0.0810 0.5484 0.6076
30DCM C 147 4.841 1.116 2.137 0.1486 -0.0929 -0.3270
30DCM H 148 4.815 1.100 2.242 0.9353 1.8470 0.2009
30DCM H 149 4.938 1.167 2.147 -0.0235 0.6559 -1.9949
30DCM CL 150 4.856 0.953 2.065 0.2675 -0.3755 0.3321
31DCM CL 151 3.681 1.429 3.657 -0.7637 0.2407 0.1863
31DCM C 152 3.625 1.262 3.627 0.0397 0.0461 -0.2823
31DCM H 153 3.615 1.241 3.520 1.1353 -2.3740 0.0230
31DCM H 154 3.522 1.257 3.665 -0.3849 -2.4870 -1.5605
31DCM CL 155 3.740 1.146 3.698 -0.1974 0.0293 0.0794
32DCM CL 156 1.108 3.043 4.635 0.0015 0.0746 0.1516
32DCM C 157 1.241 3.141 4.568 0.0713 0.0119 0.2001
32DCM H 158 1.215 3.241 4.530 -1.0634 -0.6797 -0.8978
32DCM H 159 1.265 3.076 4.483 -0.7962 -2.0111 1.4308
32DCM CL 160 1.384 3.131 4.676 0.0527 0.1123 0.2338
33DCM CL 161 0.629 2.693 0.898 -0.1265 -0.1872 -0.3700
33DCM C 162 0.710 2.650 0.745 0.4269 0.3497 -0.2267
33DCM H 163 0.664 2.571 0.685 -0.4772 0.6173 0.1080
33DCM H 164 0.819 2.634 0.744 0.6675 1.8516 -0.0224
33DCM CL 165 0.699 2.789 0.633 -0.1789 0.2481 -0.2926
34DCM CL 166 4.582 4.001 3.186 -0.3202 -0.1361 0.0645
34DCM C 167 4.558 4.025 3.361 0.0532 0.2379 0.0670
34DCM H 168 4.564 3.927 3.410 1.6418 -0.3097 -1.1291
34DCM H 169 4.455 4.065 3.355 -0.8071 -2.0781 -2.9044
34DCM CL 170 4.665 4.153 3.425 0.1527 0.3628 -0.3435
35DCM CL 171 0.594 1.758 1.405 -0.2056 0.2189 -0.3781
35DCM C 172 0.447 1.669 1.455 -0.3796 0.5551 -0.2897
35DCM H 173 0.389 1.760 1.475 -0.3460 0.9394 -1.7874
35DCM H 174 0.454 1.626 1.555 0.3742 1.4229 0.0466
35DCM CL 175 0.381 1.549 1.341 -0.4296 -0.1447 0.4723
36DCM CL 176 2.410 1.230 4.436 -0.1026 0.2125 -0.1822
36DCM C 177 2.428 1.372 4.542 0.1006 0.1072 -0.0752
36DCM H 178 2.419 1.358 4.651 -0.2227 -1.8291 -0.3186
36DCM H 179 2.342 1.436 4.520 1.3458 1.3227 -1.6536
36DCM CL 180 2.571 1.467 4.492 0.0989 0.2921 0.2648
37DCM CL 181 0.235 4.040 0.812 0.3687 -0.4315 -0.0160
37DCM C 182 0.244 3.866 0.850 -0.3014 -0.4971 -0.1469
37DCM H 183 0.225 3.823 0.751 0.4989 -0.8181 -0.1691
37DCM H 184 0.177 3.815 0.921 0.0082 -2.6171 -1.2822
37DCM CL 185 0.409 3.805 0.882 -0.0650 0.1148 -0.1855
38DCM CL 186 2.320 3.971 4.209 0.1442 -0.0631 -0.1541
38DCM C 187 2.178 3.865 4.230 0.0515 0.0720 -0.0959
38DCM H 188 2.088 3.927 4.244 -1.1154 -1.9607 2.3385
38DCM H 189 2.184 3.787 4.308 -0.3164 -1.0000 -1.1090
38DCM CL 190 2.165 3.760 4.086 0.3309 -0.2486 0.1126
39DCM CL 191 0.641 2.083 0.010 -0.4369 -0.3921 -0.1877
39DCM C 192 0.551 2.032 0.156 0.1222 -0.4412 0.1427
39DCM H 193 0.564 1.932 0.198 -1.5254 -0.7953 -0.1083
39DCM H 194 0.448 2.068 0.144 -0.1585 -1.0556 0.7057
39DCM CL 195 0.595 2.129 0.299 0.1084 -0.0435 -0.1204
40DCM CL 196 0.721 3.114 3.113 0.2507 -0.1464 -0.1113
40DCM C 197 0.698 3.093 3.289 0.1647 0.2474 -0.0732
40DCM H 198 0.793 3.095 3.345 0.2593 2.0562 -0.2342
40DCM H 199 0.646 2.999 3.312 -2.1280 0.8257 -2.4049
40DCM CL 200 0.576 3.208 3.350 -0.2035 -0.0821 -0.1864
41DCM CL 201 0.683 3.814 2.156 -0.1099 0.5097 -0.2570
41DCM C 202 0.697 3.961 2.256 -0.2557 0.1069 0.3604
41DCM H 203 0.687 4.045 2.186 -0.2104 -0.4222 -0.2903
41DCM H 204 0.799 3.969 2.294 -0.2159 -1.7389 0.6977
41DCM CL 205 0.585 3.939 2.393 0.1471 0.5026 0.7569
42DCM CL 206 4.618 0.933 1.565 -0.2113 0.1234 -0.1568
42DCM C 207 4.468 1.023 1.527 -0.2407 0.4532 0.7029
42DCM H 208 4.401 1.023 1.615 -0.9868 -1.2559 0.1987
42DCM H 209 4.420 0.955 1.454 -1.0752 1.5413 0.2089
42DCM CL 210 4.520 1.184 1.471 0.3099 -0.1440 -0.5454
43DCM CL 211 4.768 0.059 0.958 0.3950 -0.3717 -0.3865
43DCM C 212 4.688 0.116 1.107 0.5485 0.1646 -0.5078
43DCM H 213 4.595 0.068 1.141 0.1963 1.9995 1.3364
43DCM H 214 4.647 0.217 1.086 0.1100 0.4603 1.5966
43DCM CL 215 4.787 0.093 1.253 -0.0085 -0.3276 -0.2063
44DCM CL 216 0.246 1.515 1.972 -0.5153 -0.6870 0.0566
44DCM C 217 0.251 1.448 2.137 0.5589 0.5365 0.5389
44DCM H 218 0.338 1.486 2.192 0.6208 0.4371 0.5111
44DCM H 219 0.272 1.347 2.099 0.0889 -0.6813 3.2461
44DCM CL 220 0.098 1.473 2.226 0.1067 0.3721 -0.1821
45DCM CL 221 3.877 4.171 2.392 0.3464 -0.2272 0.1954
45DCM C 222 3.895 4.332 2.317 -0.3531 -0.0015 0.5047
45DCM H 223 4.001 4.356 2.328 -0.4216 1.4585 -1.4607
45DCM H 224 3.836 4.403 2.377 1.9399 1.3774 1.2086
45DCM CL 225 3.844 4.349 2.146 0.3355 -0.0647 0.2901
46DCM CL 226 3.740 4.174 4.011 -0.0452 -0.1632 0.2692
46DCM C 227 3.629 4.295 4.081 -0.3685 -0.3506 0.0853
46DCM H 228 3.602 4.273 4.186 -0.4185 0.2488 0.2023
46DCM H 229 3.533 4.302 4.028 -0.7323 0.6032 0.8401
46DCM CL 230 3.712 4.453 4.068 -0.2072 -0.4780 -0.4553
47DCM CL 231 4.050 2.075 0.140 0.2074 0.0885 0.2941
47DCM C 232 4.193 2.009 0.057 -0.1230 -0.3341 0.0618
47DCM H 233 4.253 1.949 0.126 1.2759 -0.4073 -1.1722
47DCM H 234 4.257 2.085 0.011 2.0713 -2.4653 -0.6490
47DCM CL 235 4.136 1.903 -0.076 0.2259 0.2430 -0.5511
48DCM CL 236 0.319 1.800 2.542 -0.1453 -0.1538 0.2300
48DCM C 237 0.335 1.644 2.627 0.0038 -0.3145 -0.0893
48DCM H 238 0.244 1.582 2.614 1.2952 -2.0594 -1.2564
48DCM H 239 0.348 1.656 2.736 0.5767 -2.6720 0.1488
48DCM CL 240 0.479 1.548 2.583 0.3835 0.0562 0.3360
49DCM CL 241 1.221 3.261 1.130 0.2360 -0.2240 -0.2771
49DCM C 242 1.163 3.423 1.081 0.0003 -0.2801 -0.1843
49DCM H 243 1.063 3.387 1.056 -0.2829 1.1187 -1.1351
49DCM H 244 1.208 3.468 0.992 3.5039 0.4833 1.7778
49DCM CL 245 1.194 3.527 1.223 0.0388 0.1905 -0.5380
50DCM CL 246 3.632 2.200 1.421 0.3018 0.0621 0.0701
50DCM C 247 3.577 2.151 1.258 0.2292 0.3431 0.0104
50DCM H 248 3.580 2.043 1.238 -1.0769 0.7194 -2.7339
50DCM H 249 3.663 2.202 1.212 1.5243 1.0230 2.9766
50DCM CL 250 3.435 2.250 1.212 0.0373 -0.0210 -0.1921
51DCM CL 251 1.837 2.786 2.695 0.3716 0.1429 -0.3430
51DCM C 252 1.967 2.898 2.647 0.4670 0.3129 0.2983
51DCM H 253 1.941 2.906 2.540 -0.9659 -0.6109 0.5556
51DCM H 254 2.060 2.842 2.666 1.1011 -0.8311 -4.6861
51DCM CL 255 1.934 3.048 2.738 -0.6336 -0.2325 0.8114
52DCM CL 256 2.687 1.583 3.663 -0.0294 -0.2298 0.2325
52DCM C 257 2.517 1.528 3.674 -0.1447 0.1077 0.1328
52DCM H 258 2.460 1.597 3.739 -0.2357 -0.8821 1.1319
52DCM H 259 2.495 1.431 3.720 -0.6152 -0.2668 -0.8777
52DCM CL 260 2.422 1.534 3.524 -0.1991 0.3379 0.1759
53DCM CL 261 2.014 4.048 3.205 0.2593 -0.1536 -0.1100
53DCM C 262 2.117 4.157 3.302 0.1130 -0.3622 0.2829
53DCM H 263 2.073 4.257 3.290 -2.9353 -1.3957 1.7085
53DCM H 264 2.224 4.147 3.278 0.0251 -0.1782 -0.1986
53DCM CL 265 2.096 4.126 3.477 -0.1268 -0.0684 0.3057
54DCM CL 266 3.738 3.453 2.001 -0.0638 0.0877 -0.0222
54DCM C 267 3.775 3.591 1.895 -0.1392 -0.0420 -0.2175
54DCM H 268 3.840 3.653 1.959 -0.7183 0.4945 -0.1315
54DCM H 269 3.690 3.658 1.875 -0.0404 -0.0619 -0.7415
54DCM CL 270 3.843 3.529 1.742 0.5398 0.0106 0.0629
55DCM CL 271 0.873 2.403 0.585 -0.1158 -0.4483 0.1026
55DCM C 272 0.807 2.248 0.643 0.0865 -0.6271 -0.1479
55DCM H 273 0.887 2.175 0.620 0.4752 0.3973 -2.3320
55DCM H 274 0.717 2.226 0.583 0.6845 -4.1403 -0.0081
55DCM CL 275 0.758 2.256 0.814 0.1107 0.2832 -0.1813
56DCM CL 276 1.929 4.587 4.655 0.1051 -0.1770 -0.0861
56DCM C 277 1.807 4.716 4.667 0.2971 -0.0309 0.2971
56DCM H 278 1.760 4.746 4.572 1.5075 -0.8998 -0.5963
56DCM H 279 1.852 4.799 4.724 0.7535 -0.6425 0.8420
56DCM CL 280 1.676 4.653 4.771 -0.1857 0.2688 -0.1220
57DCM CL 281 0.643 0.723 1.779 -0.0511 0.1030 0.0285
57DCM C 282 0.733 0.636 1.651 -0.2101 -0.2760 0.1720
57DCM H 283 0.752 0.529 1.665 2.8775 -0.1165 -1.7678
57DCM H 284 0.830 0.686 1.634 0.1076 -1.0564 -0.3173
57DCM CL 285 0.652 0.640 1.492 0.2056 -0.0910 -0.0387
58DCM CL 286 1.691 2.240 3.004 0.1796 -0.3391 0.4518
58DCM C 287 1.757 2.074 3.015 -0.1051 -0.4540 0.4192
58DCM H 288 1.763 2.028 2.915 -0.0798 -1.9102 1.0776
58DCM H 289 1.686 2.013 3.071 -2.4499 2.1593 0.5318
58DCM CL 290 1.922 2.067 3.082 0.1581 0.1955 -0.1466
59DCM CL 291 3.689 4.247 4.512 0.2729 -0.2676 -0.3718
59DCM C 292 3.531 4.196 4.579 0.3946 -0.0225 0.1082
59DCM H 293 3.555 4.116 4.650 0.0886 1.2602 1.7068
59DCM H 294 3.477 4.151 4.494 0.0038 0.9879 -0.1963
59DCM CL 295 3.450 4.333 4.660 0.3208 0.0497 -0.0856
60DCM CL 296 2.989 3.105 0.825 0.2652 0.0619 -0.1430
60DCM C 297 3.148 3.024 0.842 0.0514 -0.3334 -0.0149
60DCM H 298 3.176 3.056 0.943 -0.2721 -0.5889 0.1582
60DCM H 299 3.230 3.049 0.772 0.5479 -0.4160 0.5373
60DCM CL 300 3.136 2.849 0.874 0.2053 -0.3961 -0.2972
61DCM CL 301 3.159 4.276 0.851 -1.0327 -0.6416 -0.3641
61DCM C 302 3.133 4.385 0.990 0.1406 -0.0116 -0.6271
61DCM H 303 3.188 4.481 0.995 1.4884 -0.7740 -0.2659
61DCM H 304 3.160 4.336 1.085 -1.1582 0.3773 -0.0452
61DCM CL 305 2.962 4.436 0.984 0.0933 -0.1358 -0.3639
62DCM CL 306 3.406 1.074 2.897 -0.2992 -0.0398 0.0251
62DCM C 307 3.545 0.989 2.971 -0.0341 0.8398 0.5432
62DCM H 308 3.604 1.072 3.013 -3.6558 2.9562 1.9654
62DCM H 309 3.600 0.935 2.893 0.3307 2.1324 -0.1152
62DCM CL 310 3.499 0.868 3.094 -0.1666 0.1638 -0.1644
63DCM CL 311 0.301 3.221 0.333 -0.1675 0.1407 0.0069
63DCM C 312 0.268 3.199 0.507 -0.1405 0.1576 0.0141
63DCM H 313 0.365 3.222 0.554 -0.1993 -0.8368 0.6410
63DCM H 314 0.226 3.101 0.535 3.0583 -0.4930 3.2508
63DCM CL 315 0.128 3.294 0.565 -0.2643 -0.2909 0.4579
64DCM CL 316 2.696 3.622 1.064 0.2107 0.1308 -0.3995
64DCM C 317 2.872 3.631 1.035 0.3027 0.5335 0.2582
64DCM H 318 2.911 3.709 1.101 1.0338 0.1544 0.2849
64DCM H 319 2.896 3.653 0.930 2.1882 1.5073 0.8455
64DCM CL 320 2.936 3.466 1.060 0.0561 0.4004 0.0090
65DCM CL 321 4.689 1.192 2.872 0.0195 0.6306 0.2210
65DCM C 322 4.826 1.227 2.762 0.3403 -0.7204 0.1633
65DCM H 323 4.807 1.327 2.720 0.8977 -0.2658 0.9541
65DCM H 324 4.844 1.148 2.688 -0.2832 -1.6648 0.9932
65DCM CL 325 4.978 1.243 2.856 0.2446 0.1759 0.1820
66DCM CL 326 2.764 1.932 3.036 -0.3648 -0.3832 -0.0383
66DCM C 327 2.668 1.979 2.893 -0.0700 0.2520 -0.0346
66DCM H 328 2.725 2.012 2.805 -0.8462 1.8878 0.0482
66DCM H 329 2.612 2.069 2.922 0.2827 0.6342 -0.5309
66DCM CL 330 2.573 1.847 2.820 -0.2397 0.2073 0.2665
67DCM CL 331 3.640 0.236 0.523 -0.0173 0.0253 -0.0702
67DCM C 332 3.716 0.266 0.682 -0.0095 0.9242 -0.2378
67DCM H 333 3.819 0.304 0.677 -0.2487 1.4470 -2.4099
67DCM H 334 3.725 0.161 0.715 -0.5803 1.0363 0.2873
67DCM CL 335 3.588 0.326 0.791 -0.1514 -0.3169 0.3021
68DCM CL 336 3.999 2.949 3.606 0.2650 0.5169 0.0696
68DCM C 337 4.026 2.845 3.749 -0.1019 0.3657 0.0302
68DCM H 338 4.014 2.739 3.725 -3.3316 0.7652 -0.5964
68DCM H 339 3.948 2.844 3.827 -0.1889 -2.6605 0.0029
68DCM CL 340 4.177 2.881 3.837 -0.3004 0.2083 0.4405
69DCM CL 341 1.261 2.493 1.330 -0.2554 0.2534 -0.2178
69DCM C 342 1.165 2.642 1.355 -0.6207 -0.0639 0.2793
69DCM H 343 1.059 2.612 1.361 -0.6897 0.1830 0.2917
69DCM H 344 1.174 2.717 1.276 2.2772 0.0757 0.6496
69DCM CL 345 1.219 2.711 1.510 0.3863 0.1144 -0.1430
70DCM CL 346 0.452 4.535 1.908 0.3081 0.1222 -0.0433
70DCM C 347 0.446 4.567 1.732 -0.1493 0.1480 -0.0238
70DCM H 348 0.386 4.484 1.693 0.2677 0.8896 -2.3967
70DCM H 349 0.542 4.573 1.679 0.0210 -1.8384 -0.0132
70DCM CL 350 0.344 4.713 1.717 -0.5957 -0.2124 -0.4984
71DCM CL 351 2.235 2.246 2.162 -0.0473 -0.1530 0.0053
71DCM C 352 2.103 2.131 2.123 0.1265 -0.2836 -0.1983
71DCM H 353 2.161 2.041 2.099 -0.0604 -0.8262 1.3085
71DCM H 354 2.042 2.175 2.043 -0.8232 1.6155 1.4587
71DCM CL 355 1.998 2.121 2.267 0.0113 -0.0561 -0.2652
72DCM CL 356 4.403 3.889 4.754 -0.5108 -0.0001 0.1028
72DCM C 357 4.359 3.937 4.920 -0.7173 -0.0761 0.0712
72DCM H 358 4.442 3.994 4.964 -0.3817 -1.9840 2.0483
72DCM H 359 4.349 3.853 4.990 -0.7637 0.7045 1.0255
72DCM CL 360 4.207 4.030 4.906 -0.6677 -0.0618 -0.3873
73DCM CL 361 3.094 2.795 0.063 -0.2507 -0.2021 0.3011
73DCM C 362 3.220 2.789 0.190 -0.1472 0.5675 0.2397
73DCM H 363 3.179 2.833 0.282 0.7159 -1.4936 1.6873
73DCM H 364 3.306 2.842 0.147 -0.1118 -0.5781 -1.1658
73DCM CL 365 3.288 2.625 0.206 -0.2070 0.4928 -0.2569
74DCM CL 366 0.302 3.854 2.051 -0.2086 0.0092 0.2705
74DCM C 367 0.186 3.777 2.163 -0.0610 -0.4316 0.1239
74DCM H 368 0.187 3.832 2.258 2.3052 0.7459 -0.5286
74DCM H 369 0.217 3.673 2.181 1.4484 -0.0605 -0.2062
74DCM CL 370 0.020 3.767 2.096 -0.0177 -0.0364 -0.0454
75DCM CL 371 4.034 4.477 3.427 -0.1865 0.1024 0.0290
75DCM C 372 3.872 4.436 3.490 -0.1648 -0.6621 -0.3967
75DCM H 373 3.880 4.430 3.599 0.0628 -2.4092 -0.4859
75DCM H 374 3.836 4.338 3.454 0.0212 -0.7384 -0.3727
75DCM CL 375 3.743 4.559 3.475 0.3698 -0.0230 0.1798
76DCM CL 376 3.513 0.156 3.497 -0.1517 0.2198 -0.5454
76DCM C 377 3.430 0.134 3.654 0.0696 0.0167 -0.4541
76DCM H 378 3.427 0.233 3.702 0.1949 0.1546 -0.7239
76DCM H 379 3.512 0.091 3.712 0.4768 0.3727 -0.7538
76DCM CL 380 3.286 0.029 3.640 0.2087 -0.2541 0.1467
77DCM CL 381 4.278 2.743 4.511 0.1637 0.4034 0.2240
77DCM C 382 4.202 2.890 4.443 -0.3693 0.0142 -0.0278
77DCM H 383 4.215 2.963 4.523 -0.2937 -2.1492 2.0522
77DCM H 384 4.096 2.883 4.415 -0.2227 -1.1556 -0.3444
77DCM CL 385 4.271 2.907 4.279 0.5464 0.1185 0.3593
78DCM CL 386 2.510 3.925 0.395 -0.2945 -0.2576 -0.1405
78DCM C 387 2.678 3.879 0.357 -0.1610 0.2300 -0.1527
78DCM H 388 2.736 3.823 0.432 1.3102 0.8159 -0.8072
78DCM H 389 2.744 3.957 0.316 1.0844 -0.2747 0.8058
78DCM CL 390 2.676 3.753 0.231 0.1707 0.2149 -0.1448
79DCM CL 391 0.410 2.419 0.489 0.2733 0.1104 -0.1387
79DCM C 392 0.246 2.418 0.418 0.3779 -0.0133 -0.3772
79DCM H 393 0.248 2.489 0.334 -1.3698 2.2324 1.3517
79DCM H 394 0.163 2.443 0.485 1.3144 0.0835 0.7863
79DCM CL 395 0.196 2.257 0.359 0.1105 0.0159 -0.2286
80DCM CL 396 1.544 2.142 3.974 -0.1631 0.1308 0.0638
80DCM C 397 1.422 2.218 3.867 -0.2022 -0.1561 -0.0948
80DCM H 398 1.359 2.267 3.942 2.4539 -0.6274 2.6671
80DCM H 399 1.378 2.124 3.831 0.6784 -0.7191 0.2444
80DCM CL 400 1.499 2.314 3.737 -0.5742 0.0054 -0.1953
81DCM CL 401 0.144 2.861 1.671 0.0526 0.1485 -0.1249
81DCM C 402 0.305 2.785 1.683 -0.2350 -0.4788 -0.1619
81DCM H 403 0.386 2.858 1.697 -0.3811 0.0562 -1.9067
81DCM H 404 0.321 2.740 1.584 0.1639 -1.2087 0.2224
81DCM CL 405 0.303 2.677 1.826 0.0160 -0.0687 0.1548
82DCM CL 406 2.268 4.510 2.090 -0.1608 0.2368 0.1757
82DCM C 407 2.261 4.629 2.223 -0.4276 0.1914 0.2026
82DCM H 408 2.302 4.729 2.204 0.3813 -0.3215 -0.8147
82DCM H 409 2.317 4.585 2.306 1.3730 2.5460 0.3287
82DCM CL 410 2.089 4.661 2.259 -0.3344 0.2559 0.5868
83DCM CL 411 2.162 1.279 4.156 0.4320 -0.3157 0.1916
83DCM C 412 2.077 1.121 4.164 -0.2187 0.0180 -0.0070
83DCM H 413 1.970 1.131 4.188 -0.1806 -0.0418 0.1911
83DCM H 414 2.110 1.057 4.247 -1.5971 0.1762 0.6855
83DCM CL 415 2.070 1.033 4.009 -0.1862 0.2410 -0.1370
84DCM CL 416 2.722 3.868 4.223 -0.1049 -0.3201 -0.0878
84DCM C 417 2.746 3.870 4.400 0.5491 0.3447 -0.1779
84DCM H 418 2.655 3.883 4.460 1.4337 -1.3072 1.6546
84DCM H 419 2.825 3.944 4.417 0.8666 0.9711 -3.6643
84DCM CL 420 2.797 3.706 4.447 0.4205 0.3396 -0.0556
85DCM CL 421 1.374 1.483 2.787 -0.0381 0.2748 -0.1476
85DCM C 422 1.409 1.384 2.642 -0.1730 0.0054 0.0019
85DCM H 423 1.370 1.446 2.559 -2.7242 -1.4366 0.0009
85DCM H 424 1.340 1.298 2.644 -1.7364 1.1570 -1.1154
85DCM CL 425 1.577 1.326 2.636 -0.1628 0.0238 0.1091
86DCM CL 426 4.095 3.892 4.600 -0.1302 -0.1670 0.2768
86DCM C 427 4.180 3.742 4.555 -0.5251 -0.3100 -0.0043
86DCM H 428 4.286 3.768 4.541 -0.8483 2.2934 1.6275
86DCM H 429 4.124 3.717 4.464 -2.4205 1.2475 0.6811
86DCM CL 430 4.196 3.627 4.691 -0.3054 -0.2120 0.0549
87DCM CL 431 3.495 2.000 2.491 0.1299 0.1760 0.2758
87DCM C 432 3.320 2.015 2.459 0.2282 -0.2264 -0.4773
87DCM H 433 3.271 2.046 2.552 -0.4357 2.9749 -1.7585
87DCM H 434 3.269 1.922 2.428 -0.3700 0.2055 -0.7968
87DCM CL 435 3.288 2.165 2.368 0.1070 -0.2854 -0.5310
88DCM CL 436 4.570 0.383 0.193 0.1677 -0.2805 0.0016
88DCM C 437 4.587 0.356 0.017 -0.3752 0.1506 -0.1217
88DCM H 438 4.686 0.397 -0.006 -0.0861 -1.5110 -2.1547
88DCM H 439 4.501 0.383 -0.045 0.0905 -0.3801 -1.0125
88DCM CL 440 4.587 0.182 -0.023 -0.0577 0.1393 -0.0727
89DCM CL 441 2.588 3.552 4.768 -0.0160 -0.1556 -0.6525
89DCM C 442 2.422 3.552 4.703 -0.3442 -0.7806 0.1729
89DCM H 443 2.368 3.604 4.783 -0.1751 -1.1144 0.5078
89DCM H 444 2.380 3.452 4.683 3.2510 -2.1379 -1.5181
89DCM CL 445 2.411 3.652 4.555 0.2284 -0.5492 0.2859
90DCM CL 446 0.951 1.368 1.417 -0.4470 -0.2261 -0.2928
90DCM C 447 0.814 1.476 1.456 -0.0795 0.1237 0.0433
90DCM H 448 0.743 1.392 1.459 3.3321 -3.1667 -2.0451
90DCM H 449 0.805 1.557 1.382 0.1280 -0.1730 -0.3173
90DCM CL 450 0.816 1.556 1.615 0.1463 -0.4498 0.3318
91DCM CL 451 2.390 0.889 2.835 0.3746 -0.3107 0.1957
91DCM C 452 2.289 0.790 2.944 0.3982 -0.3004 0.2270
91DCM H 453 2.310 0.682 2.942 1.7241 -0.0686 0.4121
91DCM H 454 2.183 0.800 2.919 0.6287 -2.7826 -2.1487
91DCM CL 455 2.312 0.855 3.109 0.0522 -0.4411 0.3309
92DCM CL 456 2.358 0.328 1.488 -0.0876 -0.3717 0.1577
92DCM C 457 2.367 0.291 1.313 0.4683 -0.1243 0.1314
92DCM H 458 2.470 0.304 1.277 -0.1051 0.5512 -1.3514
92DCM H 459 2.298 0.346 1.248 0.3600 -0.7697 -0.3055
92DCM CL 460 2.346 0.115 1.290 0.0492 -0.1050 0.3575
93DCM CL 461 0.077 4.412 4.409 -0.1724 -0.0377 0.1885
93DCM C 462 -0.064 4.347 4.320 0.2436 -0.2452 -0.3238
93DCM H 463 -0.064 4.392 4.220 1.0742 -1.0569 -0.7005
93DCM H 464 -0.158 4.354 4.377 -0.3823 2.3523 -1.5338
93DCM CL 465 -0.074 4.170 4.335 0.2190 -0.2436 -0.3128
94DCM CL 466 3.969 2.194 1.421 0.1013 0.3097 0.1901
94DCM C 467 4.109 2.198 1.310 0.4169 -0.0781 0.5680
94DCM H 468 4.111 2.300 1.270 -2.0243 0.1300 0.8201
94DCM H 469 4.075 2.135 1.226 1.8463 -0.8876 0.5705
94DCM CL 470 4.253 2.134 1.394 0.7161 -0.2061 -0.0353
95DCM CL 471 2.732 2.106 1.273 -0.3509 0.2286 0.2025
95DCM C 472 2.693 2.279 1.296 -0.4019 0.1113 1.0413
95DCM H 473 2.746 2.350 1.231 -0.2217 -0.6636 0.3311
95DCM H 474 2.733 2.294 1.397 -2.3635 -1.5920 2.1571
95DCM CL 475 2.520 2.320 1.318 -0.6625 -0.2842 -0.1518
96DCM CL 476 2.989 2.569 1.196 0.1931 0.0052 0.0738
96DCM C 477 3.156 2.525 1.149 0.3563 0.5260 0.1576
96DCM H 478 3.196 2.438 1.202 0.5686 0.3867 -0.2298
96DCM H 479 3.234 2.593 1.184 2.5063 -1.5133 -0.4508
96DCM CL 480 3.177 2.495 0.974 -0.8394 -0.4396 0.1651
97DCM CL 481 1.631 0.543 2.360 0.2496 -0.0629 -0.0549
97DCM C 482 1.750 0.414 2.392 0.5270 0.1849 -0.0815
97DCM H 483 1.804 0.443 2.483 1.7389 -0.5814 -0.5246
97DCM H 484 1.817 0.409 2.305 1.1543 -2.8394 0.4752
97DCM CL 485 1.687 0.248 2.409 0.2535 0.3198 0.2286
98DCM CL 486 2.816 1.677 4.174 -0.1863 -0.0092 0.0417
98DCM C 487 2.651 1.739 4.201 -0.1995 -0.0672 0.0935
98DCM H 488 2.638 1.847 4.187 -0.5114 -0.0050 0.8481
98DCM H 489 2.625 1.711 4.304 -1.0131 1.4714 0.3445
98DCM CL 490 2.536 1.639 4.107 -0.3856 0.0576 0.1899
99DCM CL 491 0.217 0.846 2.859 -0.0246 -0.4237 0.6012
99DCM C 492 0.094 0.888 2.982 -0.6069 -0.4858 0.0422
99DCM H 493 0.001 0.829 2.975 -0.8669 -0.0164 -0.4374
99DCM H 494 0.079 0.996 2.991 1.7206 -0.1468 0.6094
99DCM CL 495 0.166 0.860 3.143 -0.0099 0.0322 -0.1331
100DCM CL 496 1.257 2.351 3.173 0.2051 -0.6542 -0.3656
100DCM C 497 1.133 2.464 3.113 0.5677 -0.1116 -0.0956
100DCM H 498 1.168 2.568 3.126 1.6413 -0.6417 1.5567
100DCM H 499 1.036 2.447 3.163 0.8450 0.7031 0.7560
100DCM CL 500 1.127 2.446 2.936 -0.1309 -0.1870 -0.0673
101DCM CL 501 0.767 2.714 3.174 0.2124 -0.2005 0.1360
101DCM C 502 0.662 2.571 3.191 0.4072 -0.3712 -0.0784
101DCM H 503 0.566 2.585 3.140 -0.1763 0.3104 1.1439
101DCM H 504 0.639 2.559 3.298 1.7531 -2.0908 0.0546
101DCM CL 505 0.772 2.431 3.176 0.5033 -0.3432 0.3437
102DCM CL 506 1.131 4.260 2.216 -0.3291 -0.0374 -0.3451
102DCM C 507 0.989 4.339 2.291 -0.2103 -0.1585 0.0055
102DCM H 508 0.915 4.347 2.211 -0.3218 -1.8505 -0.0983
102DCM H 509 1.012 4.433 2.343 0.3468 0.3472 -1.1310
102DCM CL 510 0.932 4.222 2.413 0.1451 -0.0490 0.2789
103DCM CL 511 2.874 4.165 0.571 -0.1097 -0.3414 0.3483
103DCM C 512 2.866 4.310 0.675 -0.0825 0.1957 -0.3881
103DCM H 513 2.938 4.279 0.751 -0.7554 -1.8867 -0.5267
103DCM H 514 2.769 4.323 0.726 1.5076 0.2526 2.8499
103DCM CL 515 2.898 4.448 0.566 0.4334 0.0231 -0.4560
104DCM CL 516 0.706 4.634 0.023 0.1783 0.2525 0.2610
104DCM C 517 0.840 4.521 -0.009 0.0049 0.3095 -0.6679
104DCM H 518 0.875 4.494 0.091 -0.3550 1.4282 -0.2302
104DCM H 519 0.923 4.557 -0.072 0.4737 1.4623 0.5628
104DCM CL 520 0.758 4.386 -0.094 0.1159 0.1584 -0.5352
105DCM CL 521 2.168 0.167 3.742 -0.1668 -0.1109 0.5109
105DCM C 522 2.041 0.198 3.863 -0.1862 0.6690 0.2953
105DCM H 523 2.060 0.130 3.947 1.7744 -0.6350 -1.1213
105DCM H 524 1.936 0.193 3.832 -0.6399 1.9346 1.5111
105DCM CL 525 2.050 0.366 3.924 -0.2444 0.6361 0.3941
106DCM CL 526 0.154 1.962 0.131 0.1322 0.1888 -0.1907
106DCM C 527 0.204 2.019 -0.031 0.3799 0.0332 -0.1705
106DCM H 528 0.112 2.006 -0.089 0.2835 0.4390 -0.1129
106DCM H 529 0.286 1.951 -0.059 0.3148 0.9690 -2.9741
106DCM CL 530 0.244 2.192 -0.016 0.0367 0.0674 0.3739
107DCM CL 531 4.636 2.756 4.570 -0.0851 0.3117 -0.0911
107DCM C 532 4.590 2.898 4.472 -0.1318 0.1324 -0.3294
107DCM H 533 4.518 2.869 4.394 -0.9202 -0.5070 0.6088
107DCM H 534 4.677 2.945 4.424 -0.3303 0.9720 0.1250
107DCM CL 535 4.516 3.016 4.583 -0.1075 -0.1728 0.0142
108DCM CL 536 3.121 0.721 2.609 -0.0042 0.0244 -0.1169
108DCM C 537 3.028 0.798 2.477 0.4945 0.4152 -0.2413
108DCM H 538 3.074 0.783 2.378 -0.0698 0.6278 -0.5361
108DCM H 539 3.025 0.904 2.506 -1.8118 0.7377 -1.4638
108DCM CL 540 2.865 0.729 2.461 0.4748 0.3234 0.3207
109DCM CL 541 4.846 0.594 1.662 -0.0175 0.4008 -0.0497
109DCM C 542 5.000 0.682 1.641 0.0792 0.3626 0.4827
109DCM H 543 4.988 0.782 1.685 0.6121 0.5763 0.1549
109DCM H 544 5.006 0.692 1.532 3.6898 -0.7658 0.4475
109DCM CL 545 5.146 0.592 1.692 -0.1476 -0.1183 0.2931
110DCM CL 546 3.753 0.583 4.847 -0.2187 0.3405 -0.1817
110DCM C 547 3.658 0.562 4.697 0.0593 -0.0487 -0.3076
110DCM H 548 3.553 0.562 4.730 0.6166 -2.0911 1.6956
110DCM H 549 3.667 0.459 4.661 -0.3262 -0.9255 1.9428
110DCM CL 550 3.697 0.681 4.569 -0.2807 0.4183 0.0165
111DCM CL 551 3.218 1.609 3.922 0.2111 -0.3266 0.2764
111DCM C 552 3.365 1.696 3.870 0.0568 -0.4724 -0.4182
111DCM H 553 3.362 1.799 3.834 -1.8927 0.0362 1.0667
111DCM H 554 3.394 1.631 3.786 -0.4270 -1.2322 -0.0172
111DCM CL 555 3.495 1.668 3.990 -0.2528 -0.0940 0.0057
112DCM CL 556 2.164 3.100 1.426 0.1319 0.1640 -0.0176
112DCM C 557 2.248 2.942 1.426 -0.1369 0.0198 -0.1482
112DCM H 558 2.353 2.938 1.460 0.2440 -1.4618 -1.3752
112DCM H 559 2.238 2.919 1.319 -1.2146 3.6351 -0.9873
112DCM CL 560 2.182 2.816 1.533 -0.2258 0.2761 0.0985
113DCM CL 561 3.883 3.304 3.226 0.3365 -0.1191 -0.1207
113DCM C 562 3.912 3.437 3.340 -0.4341 -0.0989 0.0549
113DCM H 563 3.847 3.412 3.425 2.4008 -0.7512 2.2095
113DCM H 564 3.870 3.533 3.305 -2.0241 -1.3963 -1.7670
113DCM CL 565 4.083 3.451 3.392 -0.3998 0.0250 -0.0898
114DCM CL 566 2.296 2.094 3.599 -0.0411 0.0211 0.3092
114DCM C 567 2.276 1.988 3.457 -0.1325 -0.6204 0.7973
114DCM H 568 2.242 2.046 3.370 -0.7569 -1.6654 0.3107
114DCM H 569 2.181 1.935 3.479 -2.2825 1.9648 -1.5762
114DCM CL 570 2.415 1.876 3.449 0.3173 -0.0126 -0.0139
115DCM CL 571 4.367 2.033 1.009 0.0360 0.2761 -0.0561
115DCM C 572 4.478 2.135 1.104 0.2791 0.6611 -0.7514
115DCM H 573 4.573 2.150 1.050 0.7860 -2.3262 -0.8696
115DCM H 574 4.502 2.085 1.199 -4.9154 -0.4088 0.2961
115DCM CL 575 4.397 2.293 1.126 -0.1402 0.3086 0.2669
116DCM CL 576 0.919 0.118 1.380 0.2541 -0.4162 0.2777
116DCM C 577 1.005 -0.034 1.345 0.1484 -0.3274 -0.3942
116DCM H 578 1.039 -0.003 1.245 -0.2941 0.7116 -0.2358
116DCM H 579 0.941 -0.122 1.328 0.6012 -0.5090 -1.1979
116DCM CL 580 1.132 -0.049 1.470 -0.0681 0.4727 -0.0739
117DCM CL 581 1.283 3.886 2.708 0.4007 -0.1474 0.1133
117DCM C 582 1.437 3.933 2.785 0.0997 0.0947 0.5703
117DCM H 583 1.518 3.869 2.749 1.1194 1.2387 0.7973
117DCM H 584 1.427 3.911 2.893 -0.1876 2.2774 1.0409
117DCM CL 585 1.493 4.093 2.731 -0.0593 0.0499 0.2721
118DCM CL 586 4.206 0.186 0.364 0.0556 -0.0131 0.0559
118DCM C 587 4.380 0.153 0.346 0.0183 -0.0578 -0.2353
118DCM H 588 4.451 0.236 0.362 0.2476 0.1869 -2.2501
118DCM H 589 4.381 0.126 0.240 -2.5881 1.0136 -0.5985
118DCM CL 590 4.427 0.009 0.441 0.1944 0.0024 -0.2305
119DCM CL 591 0.670 4.620 1.389 0.1737 0.1079 0.4935
119DCM C 592 0.542 4.744 1.392 0.2606 0.2297 -0.4600
119DCM H 593 0.563 4.826 1.322 -0.7078 1.4891 0.6834
119DCM H 594 0.544 4.795 1.490 -0.2366 1.7073 -1.1918
119DCM CL 595 0.386 4.659 1.375 0.3599 -0.0204 -0.1466
120DCM CL 596 1.796 1.164 1.681 -0.1449 -0.0549 -0.1331
120DCM C 597 1.838 1.141 1.508 -0.5297 -0.3064 -0.1947
120DCM H 598 1.806 1.037 1.494 -0.2018 -0.4277 -0.0795
120DCM H 599 1.947 1.151 1.493 -0.4529 1.0491 0.9552
120DCM CL 600 1.737 1.227 1.389 0.0983 -0.0192 -0.5248
121DCM CL 601 4.829 3.302 3.405 -0.1525 0.1349 -0.4712
121DCM C 602 4.829 3.124 3.427 -0.2757 0.1423 -0.4105
121DCM H 603 4.741 3.086 3.375 -1.3327 0.8131 0.8202
121DCM H 604 4.827 3.096 3.534 -0.1353 -1.3561 -0.7848
121DCM CL 605 4.988 3.065 3.370 -0.1804 0.0082 -0.0115
122DCM CL 606 2.608 2.988 3.831 -0.0547 -0.3205 0.1196
122DCM C 607 2.432 3.002 3.802 -0.0480 -0.2666 0.1090
122DCM H 608 2.392 2.900 3.807 0.7008 -0.5831 -0.1048
122DCM H 609 2.403 3.028 3.700 -2.3149 -1.2061 0.4712
122DCM CL 610 2.364 3.129 3.908 0.0209 -0.3457 0.2482
123DCM CL 611 1.391 3.185 1.413 -0.0787 0.3920 -0.4781
123DCM C 612 1.358 3.243 1.579 0.3744 -0.0505 -0.2289
123DCM H 613 1.455 3.253 1.629 0.8387 0.5662 -1.2201
123DCM H 614 1.290 3.164 1.613 0.5092 -0.0765 -0.0177
123DCM CL 615 1.258 3.390 1.586 -0.0287 -0.3377 0.0701
124DCM CL 616 2.599 2.666 4.624 -0.5949 0.2434 0.0801
124DCM C 617 2.505 2.521 4.578 -0.2292 -0.0187 0.1567
124DCM H 618 2.551 2.485 4.484 -0.7828 1.9523 -0.9267
124DCM H 619 2.399 2.548 4.564 0.0601 0.3732 -1.5420
124DCM CL 620 2.508 2.390 4.699 0.2211 -0.0462 0.1194
125DCM CL 621 1.056 1.720 4.024 0.2066 0.0875 -0.1821
125DCM C 622 1.000 1.687 4.190 -0.1566 0.3935 -0.2445
125DCM H 623 1.043 1.587 4.205 -1.8165 -0.3883 -0.3813
125DCM H 624 0.894 1.673 4.217 -0.1866 -2.5656 -1.5278
125DCM CL 625 1.070 1.791 4.317 -0.1705 -0.0307 0.1180
126DCM CL 626 1.660 3.539 1.762 -0.0062 -0.3113 -0.0466
126DCM C 627 1.679 3.716 1.780 0.1200 -0.2224 -0.9694
126DCM H 628 1.744 3.769 1.709 1.4963 -2.0779 -1.1650
126DCM H 629 1.728 3.762 1.867 -0.8037 0.1683 -0.6454
126DCM CL 630 1.518 3.792 1.772 -0.0838 -0.4833 0.4002
127DCM CL 631 4.258 3.985 2.666 -0.3940 -0.3671 0.0184
127DCM C 632 4.218 3.865 2.792 0.4635 -0.1134 0.5440
127DCM H 633 4.109 3.853 2.796 0.4837 -0.6565 -0.2757
127DCM H 634 4.270 3.873 2.889 -1.0425 -0.8295 1.4496
127DCM CL 635 4.285 3.704 2.755 0.1943 -0.1049 -0.0006
128DCM CL 636 3.235 2.218 2.918 0.0240 -0.1720 0.3110
128DCM C 637 3.344 2.306 3.029 0.1459 0.0357 0.0264
128DCM H 638 3.304 2.408 3.034 1.9848 0.8509 -0.8863
128DCM H 639 3.449 2.310 2.995 -0.6894 -1.0151 -2.9750
128DCM CL 640 3.342 2.235 3.193 -0.0534 -0.1268 -0.0449
129DCM CL 641 0.680 3.419 4.661 -0.2582 0.2507 -0.0624
129DCM C 642 0.821 3.427 4.552 -0.2431 -0.2729 -0.0845
129DCM H 643 0.908 3.488 4.578 -0.4550 -0.7706 1.9548
129DCM H 644 0.787 3.472 4.457 -2.9503 1.2932 1.5072
129DCM CL 645 0.887 3.261 4.542 0.1915 -0.0962 -0.1799
130DCM CL 646 0.554 1.972 2.964 -0.2806 -0.1363 0.0373
130DCM C 647 0.492 1.928 2.802 -0.4337 0.2656 -0.0131
130DCM H 648 0.384 1.915 2.818 -0.0482 0.9638 4.1962
130DCM H 649 0.539 1.848 2.744 -0.8933 -0.1476 0.1751
130DCM CL 650 0.511 2.065 2.689 0.6668 -0.1091 -0.2941
131DCM CL 651 4.392 3.868 0.409 -0.0544 0.0068 -0.1348
131DCM C 652 4.300 3.804 0.548 0.1745 0.0809 0.0536
131DCM H 653 4.387 3.772 0.608 1.3906 1.8511 -0.6757
131DCM H 654 4.238 3.714 0.533 0.6768 0.0746 -2.4969
131DCM CL 655 4.231 3.938 0.643 -0.1778 0.2110 -0.3846
132DCM CL 656 2.616 0.931 2.174 0.1973 0.7570 -0.2901
132DCM C 657 2.464 1.009 2.229 -0.2308 0.2821 -0.7914
132DCM H 658 2.430 1.059 2.137 0.5701 0.0886 -1.2064
132DCM H 659 2.474 1.079 2.313 -0.2433 -0.5783 -0.0578
132DCM CL 660 2.357 0.873 2.273 -0.1081 0.2933 -0.4556
133DCM CL 661 2.187 0.103 1.902 0.0321 -0.1442 -0.2614
133DCM C 662 2.219 0.175 1.742 0.0100 1.1271 0.2945
133DCM H 663 2.318 0.157 1.696 0.2121 0.6988 0.8972
133DCM H 664 2.185 0.279 1.732 0.1277 0.9809 -2.5313
133DCM CL 665 2.108 0.110 1.618 0.4271 0.4603 0.2655
134DCM CL 666 3.384 3.376 3.130 0.1740 -0.0610 -0.1183
134DCM C 667 3.340 3.265 3.264 -0.1116 0.2129 0.0165
134DCM H 668 3.324 3.329 3.352 -3.6982 1.3692 -1.2833
134DCM H 669 3.434 3.213 3.285 1.8567 2.8019 -1.6735
134DCM CL 670 3.171 3.211 3.248 0.0322 -0.2340 0.0023
135DCM CL 671 2.835 0.947 4.456 0.0449 -0.0827 -0.1649
135DCM C 672 2.902 0.862 4.314 0.1673 -0.0489 -0.1270
135DCM H 673 2.890 0.923 4.223 -2.4402 -0.7812 -0.3464
135DCM H 674 2.837 0.774 4.310 0.7312 -0.4917 0.3691
135DCM CL 675 3.076 0.827 4.337 0.1607 -0.0912 -0.1431
136DCM CL 676 4.588 4.057 1.151 -0.0949 0.2175 -0.2774
136DCM C 677 4.527 4.209 1.081 -0.3430 0.3749 0.2795
136DCM H 678 4.551 4.208 0.974 0.0130 1.1948 0.3417
136DCM H 679 4.594 4.285 1.124 1.3856 -1.4423 0.9316
136DCM CL 680 4.356 4.224 1.131 -0.3802 0.1404 0.2222
137DCM CL 681 2.841 2.234 4.782 -0.1158 -0.2349 -0.2494
137DCM C 682 2.862 2.353 4.651 0.5954 -0.0535 0.0239
137DCM H 683 2.967 2.381 4.632 0.3744 0.2296 -0.7837
137DCM H 684 2.814 2.452 4.658 0.3541 -0.1658 -0.0278
137DCM CL 685 2.823 2.276 4.495 -0.1229 0.0974 0.1280
138DCM CL 686 0.334 2.992 3.039 -0.1805 0.5863 0.0537
138DCM C 687 0.292 2.937 2.875 0.2068 0.1454 0.0996
138DCM H 688 0.183 2.922 2.865 0.3747 -1.2456 0.2401
138DCM H 689 0.332 2.843 2.834 -3.0897 -1.9110 1.1806
138DCM CL 690 0.326 3.069 2.759 0.0828 0.0261 -0.0746
139DCM CL 691 2.984 0.877 3.944 0.2961 0.1220 -0.1450
139DCM C 692 2.832 0.901 3.853 -0.1556 -0.2492 0.5006
139DCM H 693 2.838 0.996 3.797 3.5163 -0.7618 -0.2665
139DCM H 694 2.752 0.908 3.928 0.4512 1.1639 1.0653
139DCM CL 695 2.794 0.770 3.739 0.1352 0.1461 -0.0561
140DCM CL 696 3.768 0.961 4.124 -0.0770 -0.1584 0.5710
140DCM C 697 3.742 0.949 4.300 0.2189 0.1481 0.6365
140DCM H 698 3.817 1.002 4.361 -0.2519 -0.7764 2.0839
140DCM H 699 3.737 0.841 4.323 -2.3812 -0.0484 -0.5730
140DCM CL 700 3.585 1.020 4.345 0.2053 0.4080 0.1820
141DCM CL 701 1.172 1.706 1.405 -0.2326 0.0389 0.3310
141DCM C 702 1.250 1.591 1.292 -0.0032 0.4329 0.0828
141DCM H 703 1.207 1.601 1.191 0.0458 2.2221 0.2078
141DCM H 704 1.220 1.487 1.310 2.9038 -0.5820 -0.5148
141DCM CL 705 1.428 1.578 1.295 -0.0668 -0.4454 0.1464
142DCM CL 706 3.240 3.839 2.576 0.0197 -0.6079 0.1015
142DCM C 707 3.082 3.921 2.595 0.3617 -0.0188 0.4484
142DCM H 708 3.029 3.890 2.503 -0.1726 0.7522 0.4925
142DCM H 709 3.074 4.028 2.616 0.0521 0.2096 -0.7471
142DCM CL 710 2.998 3.834 2.727 -0.0723 -0.0097 0.1818
143DCM CL 711 3.178 4.524 2.949 0.0848 -0.1467 -0.0370
143DCM C 712 3.106 4.648 3.054 0.2124 -0.0662 -0.0459
143DCM H 713 3.165 4.668 3.145 -0.8518 0.7014 0.4895
143DCM H 714 3.005 4.616 3.084 -0.0768 0.1105 -0.8116
143DCM CL 715 3.097 4.805 2.969 -0.2126 -0.2499 -0.3417
144DCM CL 716 1.799 0.324 1.315 0.1869 0.2295 -0.0780
144DCM C 717 1.971 0.293 1.352 -0.0513 -0.3233 0.5871
144DCM H 718 2.024 0.238 1.272 -2.0459 0.5526 -1.4530
144DCM H 719 1.954 0.225 1.437 -1.6384 -0.3128 0.3137
144DCM CL 720 2.060 0.438 1.407 0.0841 0.0628 -0.6097
145DCM CL 721 0.031 0.766 1.102 0.1266 -0.2841 0.0910
145DCM C 722 0.121 0.808 0.954 -0.0651 -0.1603 0.0084
145DCM H 723 0.147 0.711 0.908 1.7950 -0.8123 2.1835
145DCM H 724 0.214 0.864 0.973 -1.6220 2.1743 1.1813
145DCM CL 725 0.014 0.898 0.844 0.1198 -0.0386 -0.0733
146DCM CL 726 4.383 3.667 2.395 -0.2616 -0.2649 0.0744
146DCM C 727 4.412 3.494 2.427 0.4996 -0.1064 0.2607
146DCM H 728 4.421 3.476 2.535 2.0513 -0.9689 0.0133
146DCM H 729 4.509 3.483 2.378 0.0055 0.1917 -0.8285
146DCM CL 730 4.293 3.391 2.343 -0.0100 0.5174 0.2042
147DCM CL 731 4.381 3.322 0.960 0.3307 -0.1343 0.1910
147DCM C 732 4.365 3.361 0.787 -0.5817 -0.0250 0.2958
147DCM H 733 4.258 3.366 0.759 -1.3956 -1.3628 2.8506
147DCM H 734 4.421 3.286 0.730 -0.6885 -0.0384 0.2065
147DCM CL 735 4.411 3.531 0.754 -0.1840 -0.1902 0.0104
148DCM CL 736 2.950 2.757 3.763 0.3938 -0.1167 0.2462
148DCM C 737 2.945 2.579 3.783 -0.0821 -0.1871 -0.4425
148DCM H 738 3.037 2.533 3.743 0.0866 0.7792 -1.1882
148DCM H 739 2.854 2.534 3.741 0.8566 -3.3945 0.6774
148DCM CL 740 2.961 2.518 3.951 0.0009 -0.1579 -0.4391
149DCM CL 741 2.035 2.623 4.241 0.0486 0.0258 -0.0201
149DCM C 742 2.155 2.568 4.362 -0.2920 -0.0563 0.2813
149DCM H 743 2.252 2.603 4.326 -1.2460 1.5531 -0.8776
149DCM H 744 2.156 2.459 4.369 0.6775 -0.2058 -1.5636
149DCM CL 745 2.127 2.642 4.523 -0.1018 0.2643 0.1684
150DCM CL 746 4.595 0.496 4.090 -0.0163 -0.4903 0.1059
150DCM C 747 4.532 0.394 4.222 -0.2538 0.0374 0.4024
150DCM H 748 4.433 0.440 4.241 -1.2924 -0.6367 -2.8029
150DCM H 749 4.583 0.383 4.319 -0.1621 2.3684 0.6901
150DCM CL 750 4.523 0.222 4.176 -0.2072 0.1948 -0.2020
151DCM CL 751 4.099 3.133 4.732 -0.1289 -0.1018 -0.0908
151DCM C 752 4.242 3.238 4.713 -0.1412 -0.0968 -0.1600
151DCM H 753 4.320 3.178 4.764 1.3332 2.2252 0.4778
151DCM H 754 4.228 3.333 4.767 1.8689 1.0095 -1.4333
151DCM CL 755 4.289 3.262 4.543 -0.0691 0.3146 -0.0818
152DCM CL 756 2.121 3.412 4.827 0.1760 0.3062 -0.0795
152DCM C 757 2.189 3.270 4.911 -0.6429 0.2245 0.4626
152DCM H 758 2.226 3.198 4.837 1.2745 -0.5680 2.0740
152DCM H 759 2.106 3.220 4.963 -0.3636 -1.6322 -0.7769
152DCM CL 760 2.319 3.337 5.014 0.0005 -0.0460 -0.1679
153DCM CL 761 0.205 1.297 4.115 0.2027 0.1132 0.0106
153DCM C 762 0.226 1.171 4.239 -0.6364 -0.1991 -0.1556
153DCM H 763 0.334 1.176 4.261 -0.9925 -0.9997 1.9902
153DCM H 764 0.219 1.063 4.222 1.1710 -0.6337 1.5283
153DCM CL 765 0.137 1.214 4.388 0.0626 -0.1691 0.2554
154DCM CL 766 0.779 1.110 2.569 -0.5933 0.0098 0.0463
154DCM C 767 0.738 0.943 2.619 0.4586 -0.1410 0.4450
154DCM H 768 0.789 0.917 2.712 -1.2929 -0.7297 1.2873
154DCM H 769 0.761 0.869 2.541 -1.8340 -0.4998 0.0443
154DCM CL 770 0.562 0.940 2.650 0.3978 0.2158 0.1501
155DCM CL 771 2.469 1.061 4.849 -0.0002 0.1507 -0.1384
155DCM C 772 2.559 1.139 4.982 -0.0044 -0.4412 0.2140
155DCM H 773 2.493 1.151 5.070 2.4134 -1.1112 2.2496
155DCM H 774 2.572 1.238 4.937 1.8326 0.2208 2.0288
155DCM CL 775 2.728 1.087 5.008 0.0258 -0.3953 0.1049
156DCM CL 776 0.366 1.981 4.244 0.2443 0.2694 0.2298
156DCM C 777 0.401 1.856 4.366 0.5290 0.0108 -0.1135
156DCM H 778 0.501 1.815 4.346 0.8834 0.8067 -0.0049
156DCM H 779 0.314 1.789 4.362 1.0517 -0.6302 -1.2785
156DCM CL 780 0.400 1.940 4.523 -0.3575 0.4317 -0.3363
157DCM CL 781 3.725 2.350 3.341 -0.1246 0.0743 -0.2733
157DCM C 782 3.661 2.517 3.327 0.3473 0.2793 -0.0099
157DCM H 783 3.668 2.581 3.415 -0.6886 0.2829 0.0828
157DCM H 784 3.556 2.523 3.294 -0.0072 1.1547 1.2137
157DCM CL 785 3.746 2.595 3.190 -0.1303 -0.0845 -0.5210
158DCM CL 786 4.723 2.956 4.152 -0.1330 -0.2098 -0.1736
158DCM C 787 4.726 3.134 4.136 0.5370 -0.2109 -0.0735
158DCM H 788 4.735 3.178 4.035 -0.1242 -1.0004 -0.4832
158DCM H 789 4.801 3.193 4.191 0.3292 -1.3918 1.5269
158DCM CL 790 4.587 3.212 4.215 0.6029 -0.0444 -0.1200
159DCM CL 791 1.272 4.586 3.528 0.1229 -0.0708 0.2078
159DCM C 792 1.417 4.573 3.424 0.1826 0.4539 0.2226
159DCM H 793 1.445 4.664 3.368 -2.3583 1.1786 -0.0247
159DCM H 794 1.410 4.485 3.358 0.2708 -0.4174 1.3606
159DCM CL 795 1.559 4.538 3.526 0.1146 0.0399 0.1777
160DCM CL 796 0.976 0.991 2.258 0.3571 -0.0184 0.1693
160DCM C 797 1.115 1.102 2.252 0.3230 0.0379 0.3867
160DCM H 798 1.141 1.142 2.351 -0.4109 -2.9497 1.9005
160DCM H 799 1.088 1.187 2.187 -0.5137 1.2760 2.2596
160DCM CL 800 1.251 1.015 2.175 0.1120 0.0527 -0.0084
161DCM CL 801 4.439 3.210 3.307 0.2476 -0.1011 0.5292
161DCM C 802 4.349 3.317 3.196 0.4998 -0.0861 0.3379
161DCM H 803 4.362 3.420 3.232 0.5299 -0.3889 1.2174
161DCM H 804 4.240 3.306 3.207 0.7094 -1.9180 0.9012
161DCM CL 805 4.386 3.279 3.026 -0.1021 -0.0568 0.1983
162DCM CL 806 1.464 3.982 0.604 -0.1484 -0.1792 -0.0402
162DCM C 807 1.526 4.123 0.513 -0.5381 0.0393 0.0323
162DCM H 808 1.614 4.172 0.559 0.0251 -1.0122 0.1079
162DCM H 809 1.445 4.196 0.526 -2.3619 -1.7832 -0.5502
162DCM CL 810 1.578 4.071 0.351 0.4311 0.2364 0.2759
163DCM CL 811 1.686 3.628 2.896 0.2685 -0.1773 -0.2404
163DCM C 812 1.609 3.562 2.749 0.0292 -0.2918 -0.0655
163DCM H 813 1.504 3.594 2.739 0.0415 -0.3992 -0.5992
163DCM H 814 1.610 3.453 2.756 0.5954 -0.3478 -0.8398
163DCM CL 815 1.699 3.612 2.602 0.2709 0.0114 0.1826
164DCM CL 816 2.386 1.768 1.391 -0.1379 0.1896 0.1784
164DCM C 817 2.547 1.748 1.316 -0.0590 0.1127 0.3652
164DCM H 818 2.574 1.644 1.334 -0.9997 -0.0357 0.9843
164DCM H 819 2.624 1.813 1.360 -2.0115 1.8008 1.4920
164DCM CL 820 2.527 1.802 1.146 0.2399 -0.6272 0.0939
165DCM CL 821 3.342 1.089 1.605 0.1050 0.3080 0.0282
165DCM C 822 3.356 0.914 1.572 -0.2059 0.2413 0.2507
165DCM H 823 3.462 0.887 1.576 -0.0480 0.4951 -1.3875
165DCM H 824 3.320 0.893 1.470 2.5997 1.2723 -1.0670
165DCM CL 825 3.289 0.813 1.703 -0.2016 -0.0523 0.0276
166DCM CL 826 3.268 1.919 0.011 -0.0915 -0.1622 0.2132
166DCM C 827 3.345 1.784 -0.078 0.0037 0.1671 -0.2106
166DCM H 828 3.270 1.713 -0.116 0.4331 0.3841 -1.5093
166DCM H 829 3.410 1.732 -0.006 2.0544 1.2502 -1.1802
166DCM CL 830 3.447 1.847 -0.211 0.0540 0.1888 -0.1606
167DCM CL 831 4.044 0.185 2.248 0.2311 0.4725 -0.2442
167DCM C 832 3.953 0.335 2.279 -0.3154 0.1217 -0.1400
167DCM H 833 3.892 0.358 2.190 -1.3634 0.6295 0.6865
167DCM H 834 4.016 0.422 2.298 -1.3362 1.2561 -1.6411
167DCM CL 835 3.838 0.304 2.412 0.1171 0.1914 0.2524
168DCM CL 836 4.638 2.180 3.844 -0.4463 0.0419 0.0521
168DCM C 837 4.770 2.214 3.727 0.0040 -0.0492 0.5283
168DCM H 838 4.840 2.281 3.779 0.0931 0.4380 -0.2059
168DCM H 839 4.711 2.271 3.654 -1.3092 -0.2108 1.4258
168DCM CL 840 4.824 2.081 3.621 -0.2255 -0.1324 0.5132
169DCM CL 841 2.250 4.761 0.618 -0.2491 -0.0733 -0.0438
169DCM C 842 2.111 4.704 0.714 -0.1325 0.0917 0.2218
169DCM H 843 2.112 4.772 0.801 0.9873 -0.8843 1.0130
169DCM H 844 2.121 4.602 0.753 -1.0153 -0.2033 -0.2889
169DCM CL 845 1.957 4.715 0.624 0.0274 0.1893 -0.0371
170DCM CL 846 3.059 0.698 3.147 -0.0266 -0.0143 0.2865
170DCM C 847 3.108 0.799 3.008 -0.9404 -0.4777 -0.3836
170DCM H 848 3.110 0.732 2.920 -0.0911 -0.4482 -0.4036
170DCM H 849 3.202 0.856 3.002 -1.6672 0.6910 -1.0256
170DCM CL 850 2.985 0.924 2.974 -0.1758 0.3912 0.0018
171DCM CL 851 4.112 0.909 3.559 0.1162 0.3424 0.5193
171DCM C 852 4.109 1.076 3.624 -0.0675 0.3603 0.4672
171DCM H 853 4.074 1.067 3.728 1.7746 -1.4470 1.0184
171DCM H 854 4.043 1.151 3.580 -0.6451 1.0624 2.4161
171DCM CL 855 4.269 1.149 3.657 0.1011 0.2671 -0.1359
172DCM CL 856 0.792 0.872 0.453 -0.2222 0.1155 -0.2060
172DCM C 857 0.735 1.021 0.534 -0.6153 -0.0091 -0.2504
172DCM H 858 0.635 1.052 0.501 0.2224 2.6301 -0.5058
172DCM H 859 0.801 1.106 0.514 1.1578 -1.0758 0.7788
172DCM CL 860 0.741 0.994 0.710 -0.0600 -0.0915 -0.2793
173DCM CL 861 4.212 2.090 2.055 0.1447 0.4441 -0.1314
173DCM C 862 4.167 2.070 1.883 0.3067 0.1038 -0.1367
173DCM H 863 4.199 2.172 1.854 1.1545 -0.4415 -1.1719
173DCM H 864 4.058 2.083 1.878 0.3904 1.1402 0.2927
173DCM CL 865 4.253 1.927 1.821 -0.0390 -0.2185 0.1256
174DCM CL 866 3.085 2.319 1.441 -0.2153 -0.1998 -0.2872
174DCM C 867 3.133 2.357 1.609 -0.1774 -0.0707 -0.3276
174DCM H 868 3.237 2.389 1.623 -0.2811 -0.0010 0.3279
174DCM H 869 3.103 2.268 1.667 0.7358 0.8406 1.6344
174DCM CL 870 3.043 2.497 1.674 -0.0601 -0.2487 0.2196
175DCM CL 871 2.511 2.813 3.037 -0.0627 0.4384 0.2801
175DCM C 872 2.380 2.722 3.118 -0.0130 0.1672 0.0609
175DCM H 873 2.423 2.635 3.169 1.0096 1.9122 2.3366
175DCM H 874 2.313 2.682 3.041 2.3616 -0.4993 -1.8141
175DCM CL 875 2.279 2.815 3.233 -0.3100 -0.2096 0.1029
176DCM CL 876 0.796 1.754 2.695 -0.0615 -0.4225 0.0665
176DCM C 877 0.910 1.891 2.691 -0.0701 -0.4230 -0.2037
176DCM H 878 0.951 1.910 2.791 -1.4242 -1.9262 0.6698
176DCM H 879 0.874 1.984 2.644 -1.9430 -0.7888 0.4338
176DCM CL 880 1.058 1.852 2.600 0.2703 0.0022 0.1603
177DCM CL 881 2.971 0.204 1.276 0.2938 0.2591 -0.2101
177DCM C 882 2.927 0.343 1.378 0.2727 -0.0039 0.1425
177DCM H 883 2.975 0.345 1.477 -2.4796 -0.9423 1.5919
177DCM H 884 2.821 0.327 1.402 0.6799 -0.5007 1.7347
177DCM CL 885 2.930 0.497 1.286 -0.0341 -0.1263 -0.0742
178DCM CL 886 2.215 3.733 0.123 -0.1107 0.0850 0.1102
178DCM C 887 2.258 3.899 0.073 -0.7402 0.3477 0.4263
178DCM H 888 2.368 3.903 0.074 -0.7393 0.2920 1.3572
178DCM H 889 2.225 3.964 0.155 0.0938 0.0297 1.0230
178DCM CL 890 2.185 3.919 -0.089 0.0800 -0.0069 0.0074
179DCM CL 891 0.568 1.178 3.979 0.0956 -0.3762 -0.3931
179DCM C 892 0.709 1.080 4.027 0.0748 -0.2283 -0.0322
179DCM H 893 0.764 1.101 4.120 -0.3627 3.6741 -0.4908
179DCM H 894 0.786 1.114 3.956 -1.1545 0.4863 -1.0673
179DCM CL 895 0.686 0.904 4.004 0.0932 -0.2073 -0.2103
180DCM CL 896 3.888 3.866 0.105 0.3422 0.1142 0.3454
180DCM C 897 3.838 4.037 0.113 0.0322 0.0343 0.1220
180DCM H 898 3.812 4.083 0.017 2.8489 -0.1183 -0.7848
180DCM H 899 3.920 4.100 0.151 0.2784 -0.7256 0.8947
180DCM CL 900 3.700 4.053 0.226 -0.0878 0.1332 -0.0395
181DCM CL 901 2.910 3.538 4.754 0.0625 0.0451 0.6704
181DCM C 902 3.075 3.490 4.703 -0.1119 -0.1896 0.3239
181DCM H 903 3.080 3.390 4.748 -1.2380 -0.0670 0.7587
181DCM H 904 3.158 3.551 4.741 -0.6270 -0.1949 1.4893
181DCM CL 905 3.100 3.455 4.530 -0.3596 0.3557 0.1761
182DCM CL 906 1.656 1.888 1.929 -0.0033 0.1659 -0.3792
182DCM C 907 1.686 2.062 1.952 -0.1577 0.0951 0.3536
182DCM H 908 1.764 2.079 2.028 0.5938 2.4557 -0.8450
182DCM H 909 1.595 2.108 1.994 0.1153 1.1340 -0.1428
182DCM CL 910 1.747 2.144 1.806 0.3157 -0.2051 0.3813
183DCM CL 911 1.422 1.329 3.641 0.4132 0.3326 0.1925
183DCM C 912 1.547 1.219 3.706 0.2611 0.2992 0.4311
183DCM H 913 1.646 1.268 3.703 0.8311 -0.8556 -1.1848
183DCM H 914 1.544 1.132 3.639 -2.8383 -0.5156 1.4590
183DCM CL 915 1.539 1.171 3.877 -0.0219 -0.3320 0.2429
184DCM CL 916 2.820 4.293 2.707 -0.0672 -0.2068 -0.3131
184DCM C 917 2.801 4.432 2.816 0.6801 -0.3055 -0.0533
184DCM H 918 2.868 4.414 2.901 1.2190 1.0166 -0.1765
184DCM H 919 2.695 4.437 2.845 1.1394 2.0095 1.5196
184DCM CL 920 2.831 4.575 2.713 0.3425 0.0010 0.2674
185DCM CL 921 4.068 0.874 3.943 0.0058 -0.2525 -0.4337
185DCM C 922 4.188 0.869 4.076 -0.3396 0.1634 -0.1064
185DCM H 923 4.280 0.815 4.050 0.1893 1.2909 -0.6484
185DCM H 924 4.157 0.836 4.177 0.1490 1.2688 0.4226
185DCM CL 925 4.245 1.030 4.127 -0.2102 0.1192 -0.1111
186DCM CL 926 2.106 1.846 1.867 0.1209 -0.1926 -0.0127
186DCM C 927 2.281 1.869 1.844 0.0845 0.4946 0.3605
186DCM H 928 2.293 1.978 1.831 -1.8373 0.5955 -0.9301
186DCM H 929 2.302 1.822 1.747 -0.7771 2.0783 -0.6462
186DCM CL 930 2.376 1.828 1.990 0.0304 -0.6049 0.0983
187DCM CL 931 3.852 1.790 3.436 0.4948 -0.4246 -0.0315
187DCM C 932 3.751 1.834 3.295 -0.0141 -0.0562 0.4397
187DCM H 933 3.678 1.761 3.258 -0.0823 -0.9473 2.2082
187DCM H 934 3.811 1.875 3.212 0.2186 1.7579 1.4444
187DCM CL 935 3.645 1.970 3.340 -0.1668 -0.1031 0.2190
188DCM CL 936 0.056 4.841 2.457 0.0074 -0.1283 0.5266
188DCM C 937 0.027 4.680 2.387 0.0450 0.1785 -0.1987
188DCM H 938 0.126 4.634 2.375 -0.0560 -0.3591 0.9298
188DCM H 939 -0.011 4.686 2.284 0.7643 0.8208 -0.4339
188DCM CL 940 -0.089 4.581 2.481 0.1568 0.6169 0.4044
189DCM CL 941 1.652 4.010 1.531 0.0150 -0.2935 -0.1452
189DCM C 942 1.553 4.141 1.460 0.1252 -0.4275 -0.5441
189DCM H 943 1.495 4.195 1.536 -0.4678 -1.8842 0.0831
189DCM H 944 1.483 4.094 1.389 -0.8008 0.7315 -0.4229
189DCM CL 945 1.662 4.255 1.376 0.1259 0.2376 0.3491
190DCM CL 946 2.575 4.393 4.246 -0.0686 0.0844 -0.0226
190DCM C 947 2.494 4.539 4.310 0.0057 0.2560 -0.3153
190DCM H 948 2.476 4.531 4.418 -1.6471 -1.1361 -0.6495
190DCM H 949 2.402 4.547 4.250 -1.3186 0.2515 1.6355
190DCM CL 950 2.589 4.686 4.275 -0.0295 0.3582 0.0256
191DCM CL 951 4.254 1.244 0.429 -0.3440 0.2538 0.1006
191DCM C 952 4.204 1.341 0.571 0.1120 -0.0566 0.4753
191DCM H 953 4.158 1.298 0.660 3.1461 0.5711 2.5003
191DCM H 954 4.142 1.423 0.530 0.3942 -0.1840 -0.2302
191DCM CL 955 4.363 1.367 0.648 -0.0233 -0.0268 0.7424
192DCM CL 956 3.244 1.254 0.442 -0.0876 -0.5221 -0.6321
192DCM C 957 3.310 1.178 0.590 -0.3683 0.2184 -0.1172
192DCM H 958 3.230 1.131 0.649 -0.4394 -0.2008 -0.5351
192DCM H 959 3.377 1.237 0.654 0.8499 -2.2211 0.9829
192DCM CL 960 3.421 1.048 0.538 -0.3596 0.0680 0.2750
193DCM CL 961 2.167 1.777 2.953 0.2168 0.0933 0.0072
193DCM C 962 2.239 1.766 3.117 0.0854 0.3779 0.0848
193DCM H 963 2.158 1.806 3.180 -2.0649 -4.1014 0.5380
193DCM H 964 2.326 1.829 3.142 0.3182 -0.2081 0.7906
193DCM CL 965 2.280 1.597 3.157 0.1055 0.3343 -0.1159
194DCM CL 966 1.482 1.883 2.878 -0.0803 -0.1557 -0.3599
194DCM C 967 1.309 1.921 2.906 -0.0299 0.0320 -0.3005
194DCM H 968 1.266 1.841 2.968 1.3175 0.5616 1.4110
194DCM H 969 1.252 1.936 2.813 0.9264 -1.0919 -1.1086
194DCM CL 970 1.268 2.058 3.013 -0.1550 -0.3631 0.1626
195DCM CL 971 1.989 3.014 4.638 -0.0242 0.2133 -0.0338
195DCM C 972 2.079 3.047 4.488 0.2016 0.0953 0.0744
195DCM H 973 2.002 3.097 4.426 0.0132 1.0279 1.0390
195DCM H 974 2.119 2.953 4.445 -0.5322 -1.1238 1.9489
195DCM CL 975 2.213 3.163 4.510 0.0750 0.2836 -0.1460
196DCM CL 976 2.996 2.156 2.619 -0.3483 -0.3085 0.0432
196DCM C 977 2.895 2.083 2.492 0.2532 -0.0993 -0.5624
196DCM H 978 2.929 2.107 2.390 1.9691 -1.8639 -0.4533
196DCM H 979 2.793 2.120 2.511 0.8111 1.4783 -0.4999
196DCM CL 980 2.887 1.908 2.526 -0.2097 0.0944 0.3546
197DCM CL 981 2.169 2.474 3.456 0.3700 -0.2676 -0.2516
197DCM C 982 2.055 2.456 3.320 -0.0405 0.6933 -0.0425
197DCM H 983 1.958 2.508 3.329 0.0829 0.6471 2.0755
197DCM H 984 2.041 2.347 3.321 1.2810 0.4947 1.5389
197DCM CL 985 2.124 2.502 3.163 0.2379 -0.2475 -0.2027
198DCM CL 986 0.370 0.653 3.762 0.2960 -0.0372 0.0193
198DCM C 987 0.420 0.824 3.751 -0.2075 0.1214 0.1662
198DCM H 988 0.509 0.843 3.689 0.0624 -0.3957 0.3996
198DCM H 989 0.461 0.857 3.847 -0.4730 -1.5190 0.8743
198DCM CL 990 0.271 0.914 3.710 0.0097 0.4549 0.1034
199DCM CL 991 4.702 2.374 0.851 0.5695 0.1352 0.1734
199DCM C 992 4.712 2.301 0.689 0.2558 0.4581 0.0051
199DCM H 993 4.669 2.204 0.659 1.3679 -0.0881 0.1221
199DCM H 994 4.818 2.272 0.688 0.0894 -0.2271 -1.7057
199DCM CL 995 4.708 2.417 0.554 0.1212 0.3374 -0.0945
200DCM CL 996 0.203 2.426 3.580 0.0018 0.1158 0.0817
200DCM C 997 0.147 2.457 3.413 -0.4730 -0.3401 0.1545
200DCM H 998 0.133 2.365 3.354 1.3376 -0.0956 -0.7196