Pure DMSO, 200 ps Equilibration run at 300 K. DvdS 26/02/95 832 1DMSO SD 1 2.915 1.878 2.580 -0.2435 0.1688 -0.2164 1DMSO CD1 2 2.764 1.908 2.461 -0.0608 0.4317 -0.3840 1DMSO OD 3 2.852 1.844 2.715 -0.1943 -0.6301 -0.3887 1DMSO CD2 4 2.964 1.705 2.506 -0.8067 -0.2363 0.3290 2DMSO SD 5 2.893 0.696 1.134 0.1596 0.0027 0.2853 2DMSO CD1 6 2.787 0.578 1.020 -0.3099 0.3434 0.3729 2DMSO OD 7 2.839 0.838 1.116 -0.0463 -0.1506 -0.3567 2DMSO CD2 8 2.843 0.624 1.308 0.5615 0.0386 0.4130 3DMSO SD 9 0.620 1.691 1.180 0.1682 -0.0369 -0.0753 3DMSO CD1 10 0.718 1.778 1.036 -0.1599 -0.0405 -0.3042 3DMSO OD 11 0.584 1.563 1.104 0.0159 -0.0079 -0.0551 3DMSO CD2 12 0.767 1.654 1.303 -0.3406 0.0902 0.5836 4DMSO SD 13 2.264 2.260 2.008 0.2096 0.0293 0.1754 4DMSO CD1 14 2.186 2.165 1.857 0.3713 0.3718 -0.1247 4DMSO OD 15 2.283 2.409 1.979 -0.1800 0.0529 0.0423 4DMSO CD2 16 2.093 2.260 2.102 0.1315 0.0484 0.0353 5DMSO SD 17 1.725 2.836 1.513 -0.0783 -0.1507 -0.2909 5DMSO CD1 18 1.854 2.798 1.654 -0.2961 -0.0955 -0.0768 5DMSO OD 19 1.591 2.798 1.576 -0.1178 0.3079 -0.0997 5DMSO CD2 20 1.745 3.029 1.521 0.5401 -0.2434 0.4994 6DMSO SD 21 1.005 0.466 0.330 -0.3035 -0.4799 0.1949 6DMSO CD1 22 0.860 0.373 0.420 -0.6714 -0.1368 -0.0370 6DMSO OD 23 0.955 0.490 0.188 -0.1032 -0.7419 0.0758 6DMSO CD2 24 0.974 0.633 0.425 -0.2182 -0.2018 -0.2728 7DMSO SD 25 0.187 1.467 0.054 -0.0656 -0.2666 0.1195 7DMSO CD1 26 0.091 1.589 -0.065 0.4751 -0.2864 -0.3392 7DMSO OD 27 0.159 1.326 0.002 0.4067 -0.2758 -0.1154 7DMSO CD2 28 0.375 1.507 0.020 -0.0589 -0.6598 -0.3131 8DMSO SD 29 0.117 0.736 1.833 -0.0278 -0.1966 -0.0829 8DMSO CD1 30 0.063 0.899 1.924 -0.6302 -0.3517 -0.1602 8DMSO OD 31 0.132 0.627 1.940 -0.4293 -0.1368 0.0324 8DMSO CD2 32 -0.050 0.691 1.745 0.0488 -0.2570 -0.2059 9DMSO SD 33 1.222 1.472 0.491 -0.4523 0.3486 -0.4296 9DMSO CD1 34 1.122 1.343 0.384 -0.3135 -0.2618 0.1527 9DMSO OD 35 1.196 1.448 0.640 0.3825 0.3794 -0.2733 9DMSO CD2 36 1.402 1.409 0.448 -0.3399 0.6361 -0.3836 10DMSO SD 37 0.850 0.792 2.553 0.0360 0.1920 -0.1967 10DMSO CD1 38 0.885 0.605 2.594 0.0380 0.1875 -0.2160 10DMSO OD 39 0.751 0.830 2.663 0.2662 -0.1098 0.1159 10DMSO CD2 40 1.028 0.857 2.597 0.2414 -0.3881 -0.1625 11DMSO SD 41 1.151 0.225 0.819 -0.2380 -0.1951 0.2490 11DMSO CD1 42 1.166 0.189 0.628 -0.3387 0.1023 0.1884 11DMSO OD 43 1.030 0.315 0.844 -0.0672 0.1090 0.0015 11DMSO CD2 44 1.095 0.044 0.862 0.0251 -0.2353 0.4298 12DMSO SD 45 2.787 1.781 1.382 -0.1556 -0.0358 -0.0186 12DMSO CD1 46 2.697 1.845 1.222 -0.2487 -0.2713 -0.0663 12DMSO OD 47 2.938 1.772 1.359 -0.1462 0.5978 -0.2086 12DMSO CD2 48 2.753 1.936 1.495 1.0564 0.3097 -0.1110 13DMSO SD 49 2.146 1.962 0.831 -0.4005 0.0201 -0.2676 13DMSO CD1 50 2.000 1.843 0.782 -0.1510 -0.3073 -0.2163 13DMSO OD 51 2.085 2.100 0.860 0.0322 0.0772 0.4092 13DMSO CD2 52 2.187 1.897 1.010 0.3011 0.4826 -0.2452 14DMSO SD 53 1.687 1.547 0.674 0.1017 -0.2890 -0.2877 14DMSO CD1 54 1.685 1.660 0.833 -0.2577 -0.2230 -0.3375 14DMSO OD 55 1.838 1.528 0.653 0.2129 -0.0980 0.3211 14DMSO CD2 56 1.619 1.394 0.774 0.1941 -0.1277 0.0257 15DMSO SD 57 2.630 2.290 2.069 -0.1191 -0.7534 -0.0608 15DMSO CD1 58 2.689 2.453 2.159 0.4199 -0.8949 -0.1525 15DMSO OD 59 2.724 2.271 1.950 -0.1684 1.0946 -0.4280 15DMSO CD2 60 2.672 2.144 2.191 -0.1770 -0.5909 0.1558 16DMSO SD 61 2.228 0.713 2.313 -0.2089 0.0723 -0.0471 16DMSO CD1 62 2.156 0.567 2.204 0.3440 -0.4807 0.3076 16DMSO OD 63 2.143 0.739 2.438 -0.2857 0.2572 -0.1374 16DMSO CD2 64 2.386 0.614 2.370 -0.4013 -0.2731 -0.1012 17DMSO SD 65 1.452 1.450 2.681 -0.2099 -0.2486 0.1148 17DMSO CD1 66 1.501 1.630 2.626 -0.3949 -0.1878 0.1452 17DMSO OD 67 1.464 1.438 2.833 0.3079 -0.3054 0.0714 17DMSO CD2 68 1.262 1.472 2.645 -0.1256 -0.3092 -0.3765 18DMSO SD 69 2.729 0.530 0.123 0.1503 0.2629 0.0744 18DMSO CD1 70 2.881 0.650 0.148 0.2716 0.0883 0.2315 18DMSO OD 71 2.766 0.434 0.010 0.0451 0.0851 0.1925 18DMSO CD2 72 2.757 0.416 0.278 -0.1110 0.7131 0.4579 19DMSO SD 73 2.528 2.660 0.691 0.1116 0.1910 0.3180 19DMSO CD1 74 2.709 2.710 0.638 -0.0274 0.3599 -0.0084 19DMSO OD 75 2.516 2.509 0.674 -0.3023 0.2384 0.1575 19DMSO CD2 76 2.552 2.712 0.877 -0.1496 0.2762 0.3304 20DMSO SD 77 2.179 2.187 0.519 -0.1965 -0.1237 0.2664 20DMSO CD1 78 1.993 2.244 0.508 -0.1430 -0.0480 -0.3707 20DMSO OD 79 2.251 2.260 0.405 -0.1152 -0.4990 0.0734 20DMSO CD2 80 2.213 2.300 0.674 0.1804 0.4423 -0.2325 21DMSO SD 81 1.170 1.582 0.971 0.0536 0.4675 -0.1386 21DMSO CD1 82 1.213 1.630 1.155 -0.5253 0.1177 0.0956 21DMSO OD 83 1.039 1.658 0.946 -0.3586 -0.2832 -0.3068 21DMSO CD2 84 1.307 1.696 0.894 0.2375 0.3996 0.0844 22DMSO SD 85 0.243 0.353 1.218 0.1199 0.0907 -0.0836 22DMSO CD1 86 0.395 0.282 1.316 0.1801 0.4442 0.0911 22DMSO OD 87 0.249 0.506 1.224 0.1678 0.0862 -0.0075 22DMSO CD2 88 0.288 0.276 1.044 -0.1555 0.3827 -0.2864 23DMSO SD 89 1.880 1.177 0.518 0.1186 0.1922 -0.0372 23DMSO CD1 90 1.931 1.188 0.706 -0.1752 0.1760 0.0474 23DMSO OD 91 1.729 1.202 0.513 -0.0308 -0.6801 -0.0132 23DMSO CD2 92 1.968 1.332 0.440 -0.3749 0.5990 0.2067 24DMSO SD 93 2.535 2.684 1.838 -0.4172 -0.2809 0.0905 24DMSO CD1 94 2.396 2.721 1.970 0.0463 0.3810 0.4055 24DMSO OD 95 2.493 2.772 1.720 -0.5212 -0.0112 0.3241 24DMSO CD2 96 2.679 2.784 1.925 -0.2818 -0.2048 -0.2268 25DMSO SD 97 2.676 1.166 1.779 0.3963 0.2202 -0.1794 25DMSO CD1 98 2.496 1.091 1.785 0.4791 0.0060 -0.2478 25DMSO OD 99 2.727 1.154 1.923 -0.3194 -0.0958 0.0564 25DMSO CD2 100 2.757 1.028 1.667 0.9429 0.3781 0.0297 26DMSO SD 101 2.834 1.188 1.352 -0.0298 0.3201 0.0668 26DMSO CD1 102 2.861 1.240 1.165 0.2325 0.4812 0.1479 26DMSO OD 103 2.701 1.115 1.374 0.3037 -0.2467 0.1999 26DMSO CD2 104 2.966 1.045 1.354 0.2112 0.5428 0.3179 27DMSO SD 105 0.061 2.744 0.984 -0.0076 0.0200 0.2086 27DMSO CD1 106 0.035 2.556 1.029 0.0623 -0.0079 0.1476 27DMSO OD 107 -0.046 2.797 0.888 0.0888 -0.4305 -0.1425 27DMSO CD2 108 0.039 2.846 1.149 -0.2318 -0.4628 0.4843 28DMSO SD 109 2.103 1.229 2.460 -0.2184 0.1146 0.1781 28DMSO CD1 110 2.205 1.064 2.473 -0.0373 0.2396 0.3573 28DMSO OD 111 2.021 1.203 2.333 0.3576 0.4179 -0.2679 28DMSO CD2 112 1.985 1.209 2.614 -0.6566 -0.3816 -0.2209 29DMSO SD 113 0.509 0.613 1.474 -0.0756 -0.5906 0.0699 29DMSO CD1 114 0.316 0.621 1.503 -0.0190 0.5901 0.1457 29DMSO OD 115 0.558 0.470 1.496 -0.0174 -0.4771 0.7317 29DMSO CD2 116 0.491 0.655 1.285 0.1436 -0.7317 0.0241 30DMSO SD 117 2.708 0.540 2.137 -0.1059 0.1653 0.3879 30DMSO CD1 118 2.820 0.691 2.187 0.3035 0.0754 -0.2382 30DMSO OD 119 2.645 0.567 2.000 0.4600 0.2983 0.1484 30DMSO CD2 120 2.852 0.410 2.112 -0.5324 -0.1613 -0.3995 31DMSO SD 121 2.590 1.296 2.570 -0.0598 -0.3898 0.3481 31DMSO CD1 122 2.679 1.277 2.742 0.2285 -0.2792 0.2065 31DMSO OD 123 2.442 1.262 2.584 -0.2216 0.1888 0.1075 31DMSO CD2 124 2.607 1.490 2.558 -0.2594 -0.4079 -0.3246 32DMSO SD 125 1.315 2.657 2.830 -0.0496 -0.0017 0.0106 32DMSO CD1 126 1.444 2.790 2.891 -0.1667 0.1978 -0.1781 32DMSO OD 127 1.177 2.706 2.872 -0.1373 -0.2564 0.0252 32DMSO CD2 128 1.325 2.692 2.638 0.7142 0.2966 0.0972 33DMSO SD 129 2.376 0.240 0.119 0.5156 0.1365 0.1799 33DMSO CD1 130 2.552 0.169 0.072 0.2991 -0.6268 0.5352 33DMSO OD 131 2.393 0.303 0.258 0.0978 -0.4506 0.5026 33DMSO CD2 132 2.387 0.388 -0.006 0.3366 0.0488 0.0593 34DMSO SD 133 0.087 2.526 1.935 0.0499 -0.4439 0.3131 34DMSO CD1 134 0.168 2.356 1.985 0.2730 -0.1661 0.9006 34DMSO OD 135 0.195 2.628 1.899 -0.4533 -0.3138 -0.8676 34DMSO CD2 136 0.019 2.467 1.762 0.2806 0.3664 -0.0616 35DMSO SD 137 1.780 1.497 0.093 0.0308 -0.0973 -0.0447 35DMSO CD1 138 1.760 1.616 0.247 0.0917 0.1693 -0.2531 35DMSO OD 139 1.927 1.458 0.087 0.2242 0.4259 0.9654 35DMSO CD2 140 1.674 1.352 0.171 -0.6565 0.6431 0.4416 36DMSO SD 141 1.713 1.039 2.399 -0.1739 -0.4488 -0.1576 36DMSO CD1 142 1.731 1.163 2.250 -0.3588 0.4050 0.5288 36DMSO OD 143 1.565 1.000 2.405 -0.4125 0.3701 -0.5449 36DMSO CD2 144 1.808 0.895 2.307 0.4724 -0.2579 0.2197 37DMSO SD 145 1.205 2.088 1.233 0.2683 -0.3870 0.0229 37DMSO CD1 146 1.219 2.050 1.424 0.6694 0.0153 0.0862 37DMSO OD 147 1.325 2.025 1.163 0.6024 0.3748 -0.0996 37DMSO CD2 148 1.045 1.987 1.186 -0.1242 0.1562 0.1702 38DMSO SD 149 1.527 1.063 0.771 -0.2351 0.0684 0.2590 38DMSO CD1 150 1.673 0.948 0.712 -0.9106 -0.6749 0.0169 38DMSO OD 151 1.430 1.063 0.652 0.3864 -0.1877 -0.2604 38DMSO CD2 152 1.471 0.934 0.906 -0.0202 -0.3912 -0.0900 39DMSO SD 153 0.742 0.518 0.825 0.1332 -0.1282 -0.0785 39DMSO CD1 154 0.579 0.603 0.888 0.2281 0.0497 -0.0545 39DMSO OD 155 0.723 0.503 0.674 0.6199 -0.0676 -0.1493 39DMSO CD2 156 0.890 0.635 0.876 0.0991 -0.3299 0.5023 40DMSO SD 157 2.501 1.735 0.818 0.0200 -0.1881 -0.2182 40DMSO CD1 158 2.462 1.906 0.733 0.0687 -0.1470 -0.1642 40DMSO OD 159 2.370 1.656 0.833 -0.4013 0.5568 0.0647 40DMSO CD2 160 2.618 1.659 0.682 0.5548 0.1726 0.0259 41DMSO SD 161 2.135 0.930 0.503 0.7237 -0.2773 -0.3028 41DMSO CD1 162 2.232 0.794 0.605 0.0737 0.0629 0.8043 41DMSO OD 163 2.190 0.935 0.360 0.5485 0.1016 -0.3583 41DMSO CD2 164 1.968 0.829 0.501 0.5520 -0.0004 -0.0949 42DMSO SD 165 2.674 0.651 0.543 0.2518 0.0202 0.0833 42DMSO CD1 166 2.589 0.711 0.708 0.4877 -0.2151 0.2990 42DMSO OD 167 2.709 0.503 0.564 0.0927 -0.0817 -0.3501 42DMSO CD2 168 2.508 0.646 0.442 0.2481 -0.1867 0.0972 43DMSO SD 169 1.788 0.630 1.010 0.1339 0.4230 -0.0259 43DMSO CD1 170 1.657 0.489 1.038 0.1867 0.4944 0.6152 43DMSO OD 171 1.900 0.624 1.115 0.2049 0.3765 -0.1029 43DMSO CD2 172 1.858 0.565 0.840 -0.4005 0.5273 -0.2863 44DMSO SD 173 0.541 2.392 2.832 -0.1214 -0.3109 0.3017 44DMSO CD1 174 0.458 2.547 2.915 -0.3363 0.0163 -0.5013 44DMSO OD 175 0.595 2.306 2.947 0.0372 -0.3303 0.2128 44DMSO CD2 176 0.367 2.322 2.776 -0.0279 0.0421 -0.4390 45DMSO SD 177 2.335 0.683 1.898 0.1493 0.2021 0.4730 45DMSO CD1 178 2.389 0.722 1.715 -0.3334 -0.0426 0.2762 45DMSO OD 179 2.184 0.705 1.895 0.0653 -0.3931 0.1720 45DMSO CD2 180 2.362 0.490 1.884 -0.7851 0.0895 0.1001 46DMSO SD 181 1.028 0.932 0.142 0.0263 0.2181 -0.2843 46DMSO CD1 182 0.888 0.997 0.261 -0.2457 -0.9359 0.0400 46DMSO OD 183 1.119 0.852 0.236 0.0628 0.2312 -0.3083 46DMSO CD2 184 0.916 0.793 0.065 0.4231 -0.0945 -0.3031 47DMSO SD 185 0.481 2.641 1.065 0.1310 -0.0900 0.0108 47DMSO CD1 186 0.531 2.582 1.244 -0.0782 0.0188 0.1020 47DMSO OD 187 0.340 2.699 1.068 0.1002 -0.1658 0.0779 47DMSO CD2 188 0.609 2.786 1.043 0.2021 -0.2059 -0.3592 48DMSO SD 189 0.844 2.651 2.727 0.3758 0.2468 -0.0340 48DMSO CD1 190 0.953 2.543 2.606 0.1400 0.3682 -0.3618 48DMSO OD 191 0.694 2.628 2.705 0.4326 -0.1438 -0.0323 48DMSO CD2 192 0.877 2.536 2.881 0.7531 0.0874 -0.2322 49DMSO SD 193 2.244 2.120 1.388 0.3070 0.2701 0.0923 49DMSO CD1 194 2.408 2.046 1.315 -0.2396 -0.6592 -0.2165 49DMSO OD 195 2.263 2.135 1.539 0.2594 0.0875 0.1165 49DMSO CD2 196 2.232 2.284 1.283 -0.0486 -0.0700 -0.4088 50DMSO SD 197 1.290 2.161 0.048 -0.3284 0.1788 0.0095 50DMSO CD1 198 1.329 2.307 0.171 -0.7131 0.1776 0.1218 50DMSO OD 199 1.162 2.099 0.106 0.3246 -0.2261 1.0687 50DMSO CD2 200 1.242 2.277 -0.101 -0.9757 0.1800 0.2196 51DMSO SD 201 1.850 2.733 2.166 -0.2294 0.3676 0.1750 51DMSO CD1 202 1.982 2.696 2.027 -0.3343 0.1036 0.1525 51DMSO OD 203 1.861 2.629 2.277 0.1549 0.0234 -0.1775 51DMSO CD2 204 1.925 2.896 2.244 -0.0744 0.2626 0.2499 52DMSO SD 205 0.128 2.273 1.430 -0.1938 0.2382 0.1840 52DMSO CD1 206 0.145 2.085 1.381 0.3888 0.2348 0.3961 52DMSO OD 207 0.257 2.345 1.390 -0.2507 0.2283 -0.0374 52DMSO CD2 208 -0.016 2.335 1.314 -0.3275 -0.3250 0.0557 53DMSO SD 209 1.673 2.548 0.776 0.1001 -0.2487 0.2280 53DMSO CD1 210 1.617 2.539 0.962 0.2773 0.2156 0.3070 53DMSO OD 211 1.822 2.582 0.767 -0.0104 0.4432 0.8765 53DMSO CD2 212 1.678 2.359 0.730 -0.4963 -0.1650 -0.1914 54DMSO SD 213 0.683 1.094 0.577 0.0528 0.4805 -0.0152 54DMSO CD1 214 0.488 1.098 0.580 0.0367 0.2320 -0.5618 54DMSO OD 215 0.723 1.155 0.711 -0.0961 -0.0114 0.2564 54DMSO CD2 216 0.710 0.901 0.577 0.3510 0.5205 0.0795 55DMSO SD 217 2.404 1.765 2.187 -0.0769 -0.0402 0.4017 55DMSO CD1 218 2.431 1.901 2.050 -0.3313 -0.2591 0.1333 55DMSO OD 219 2.328 1.651 2.118 0.1788 0.0130 0.0238 55DMSO CD2 220 2.592 1.713 2.173 -0.1342 -0.1092 -0.1576 56DMSO SD 221 1.039 0.776 1.361 -0.1611 -0.0454 -0.5522 56DMSO CD1 222 1.078 0.887 1.206 0.1819 0.4723 -0.0845 56DMSO OD 223 1.119 0.835 1.476 0.4097 -0.3068 -0.8124 56DMSO CD2 224 0.854 0.836 1.373 0.0628 0.4897 0.2574 57DMSO SD 225 0.267 2.743 0.525 -0.2281 -0.2874 -0.2623 57DMSO CD1 226 0.291 2.812 0.705 0.3034 0.0577 -0.4574 57DMSO OD 227 0.142 2.814 0.473 -0.1143 0.1209 0.0354 57DMSO CD2 228 0.418 2.813 0.423 -0.1113 -0.2099 -0.0377 58DMSO SD 229 1.910 -0.014 0.189 0.3568 0.2791 -0.1395 58DMSO CD1 230 2.049 0.103 0.118 0.0381 0.6681 -0.1254 58DMSO OD 231 1.786 0.076 0.188 -0.1907 -0.4617 -0.1746 58DMSO CD2 232 1.878 -0.122 0.030 0.0827 0.5195 -0.2504 59DMSO SD 233 1.692 2.575 2.635 0.1422 -0.1786 0.1876 59DMSO CD1 234 1.873 2.501 2.623 0.2931 0.2272 -0.1829 59DMSO OD 235 1.635 2.569 2.776 -0.8243 0.7250 -0.1569 59DMSO CD2 236 1.762 2.754 2.602 -0.4378 0.0502 0.1825 60DMSO SD 237 0.247 2.755 1.466 0.1361 -0.1887 0.0088 60DMSO CD1 238 0.071 2.708 1.537 0.2185 -0.2666 0.1698 60DMSO OD 239 0.280 2.901 1.497 -0.0577 -0.0489 -0.4091 60DMSO CD2 240 0.351 2.664 1.603 0.2560 0.1873 0.1707 61DMSO SD 241 0.919 2.885 0.362 -0.2171 -0.2644 0.2843 61DMSO CD1 242 0.772 2.758 0.349 -0.7689 0.3806 0.1106 61DMSO OD 243 0.993 2.860 0.493 0.2020 -0.4638 0.0117 61DMSO CD2 244 1.036 2.820 0.220 0.3204 0.5897 0.3255 62DMSO SD 245 1.765 1.899 1.954 0.0621 -0.3148 0.0089 62DMSO CD1 246 1.878 1.942 2.108 -0.7523 0.1355 0.4848 62DMSO OD 247 1.624 1.880 2.009 0.0783 0.1917 0.2342 62DMSO CD2 248 1.791 2.064 1.852 -1.5073 0.0695 0.2115 63DMSO SD 249 0.531 1.552 2.394 0.2963 0.1261 -0.0898 63DMSO CD1 250 0.563 1.613 2.576 0.5276 -0.2019 -0.0191 63DMSO OD 251 0.402 1.470 2.392 0.2330 0.2112 0.3945 63DMSO CD2 252 0.486 1.733 2.335 0.2668 0.1490 0.0008 64DMSO SD 253 0.999 2.503 1.238 0.2144 -0.5212 -0.0845 64DMSO CD1 254 0.854 2.397 1.161 -0.3054 0.1355 -0.0237 64DMSO OD 255 1.122 2.417 1.267 0.1835 -0.4257 0.3394 64DMSO CD2 256 1.028 2.601 1.072 -0.2681 -0.0793 0.0970 65DMSO SD 257 0.186 1.451 1.396 -0.2131 0.0928 0.4137 65DMSO CD1 258 0.302 1.608 1.401 -0.0843 0.0273 -0.0657 65DMSO OD 259 0.267 1.327 1.432 0.0049 0.0107 -0.3290 65DMSO CD2 260 0.087 1.502 1.556 0.0208 0.5463 0.4175 66DMSO SD 261 2.584 2.762 2.532 0.0846 0.0029 0.0567 66DMSO CD1 262 2.757 2.701 2.465 -0.3510 -0.1628 -0.9489 66DMSO OD 263 2.600 2.797 2.680 -0.3105 0.0340 0.0936 66DMSO CD2 264 2.577 2.921 2.419 0.2614 -0.0024 0.0334 67DMSO SD 265 2.417 0.985 1.260 0.1395 0.3214 0.0216 67DMSO CD1 266 2.510 0.894 1.115 0.3184 0.6994 -0.1033 67DMSO OD 267 2.271 0.944 1.236 0.1918 0.0140 0.2282 67DMSO CD2 268 2.496 0.871 1.396 -0.2905 0.4508 0.3903 68DMSO SD 269 0.886 2.113 1.621 0.0093 -0.1189 -0.2469 68DMSO CD1 270 0.912 2.194 1.446 -0.4310 0.7362 0.0771 68DMSO OD 271 0.839 2.218 1.722 0.5566 -0.2197 0.1193 68DMSO CD2 272 0.722 2.023 1.566 -0.2488 0.1260 0.1121 69DMSO SD 273 2.009 2.448 1.779 0.3434 -0.0230 -0.2909 69DMSO CD1 274 2.137 2.554 1.677 0.5728 -0.4838 -0.4928 69DMSO OD 275 1.884 2.530 1.809 0.2027 -0.2877 -0.1338 69DMSO CD2 276 1.978 2.342 1.618 0.1452 0.0366 -0.2931 70DMSO SD 277 1.024 1.926 0.531 0.1133 0.1842 0.2663 70DMSO CD1 278 0.941 1.756 0.485 0.3126 0.2754 -0.4282 70DMSO OD 279 0.917 2.035 0.526 -0.0725 0.0153 0.5167 70DMSO CD2 280 1.044 1.881 0.720 0.4977 0.3526 0.2698 71DMSO SD 281 0.043 1.269 2.428 -0.2869 0.1290 -0.0142 71DMSO CD1 282 0.189 1.356 2.522 -0.1204 -0.4742 0.2903 71DMSO OD 283 -0.027 1.383 2.353 -0.4144 0.0752 0.0160 71DMSO CD2 284 0.165 1.185 2.302 -0.4993 -0.3822 0.1168 72DMSO SD 285 2.350 1.191 0.640 -0.0370 -0.0751 -0.3322 72DMSO CD1 286 2.454 1.093 0.773 -0.6264 -0.1031 0.1093 72DMSO OD 287 2.226 1.243 0.713 0.2837 0.4143 -0.1299 72DMSO CD2 288 2.479 1.326 0.586 0.2970 -0.1690 0.2111 73DMSO SD 289 2.770 0.363 2.525 -0.2007 0.1757 0.0142 73DMSO CD1 290 2.783 0.207 2.642 -0.2736 -0.0916 -0.3176 73DMSO OD 291 2.746 0.309 2.384 0.2942 -0.1436 0.0507 73DMSO CD2 292 2.615 0.453 2.604 -0.1944 0.2067 -0.0068 74DMSO SD 293 2.236 0.060 1.634 -0.0874 -0.0814 -0.3781 74DMSO CD1 294 2.191 0.207 1.755 0.7511 -0.3038 0.2145 74DMSO OD 295 2.120 0.053 1.535 -0.4038 -0.1388 -0.0029 74DMSO CD2 296 2.398 0.136 1.555 -0.0920 0.6115 0.2649 75DMSO SD 297 2.844 0.143 1.695 0.1931 0.2422 0.1509 75DMSO CD1 298 2.973 0.244 1.589 0.1241 0.1849 0.0098 75DMSO OD 299 2.906 0.114 1.832 -0.4973 -0.8505 0.2448 75DMSO CD2 300 2.706 0.278 1.720 -0.4525 -0.3423 -0.2191 76DMSO SD 301 0.238 1.014 0.844 -0.2510 0.1348 -0.0107 76DMSO CD1 302 0.074 0.909 0.846 -0.3869 0.3133 -0.5234 76DMSO OD 303 0.209 1.154 0.898 0.4028 -0.0007 0.6925 76DMSO CD2 304 0.336 0.925 0.987 0.2843 -0.1254 -0.5163 77DMSO SD 305 0.470 1.189 1.255 -0.2774 0.1474 0.1152 77DMSO CD1 306 0.447 1.275 1.081 -0.1172 -0.5935 -0.2787 77DMSO OD 307 0.558 1.066 1.233 -0.1954 0.2735 -0.2705 77DMSO CD2 308 0.576 1.337 1.325 -0.0882 0.2734 -0.4421 78DMSO SD 309 1.977 1.814 -0.014 0.0196 -0.1883 -0.0596 78DMSO CD1 310 2.011 1.846 0.175 -0.2822 0.0025 -0.0287 78DMSO OD 311 1.831 1.771 -0.029 -0.0557 0.0163 0.0835 78DMSO CD2 312 1.988 1.995 -0.088 0.2347 -0.1885 -0.0276 79DMSO SD 313 1.440 0.411 1.485 -0.4680 0.0041 -0.1350 79DMSO CD1 314 1.274 0.510 1.506 -0.1648 0.4558 0.1441 79DMSO OD 315 1.508 0.430 1.349 0.2066 0.2558 0.2307 79DMSO CD2 316 1.535 0.529 1.607 0.4519 -0.7171 -0.1454 80DMSO SD 317 1.406 1.032 2.777 0.3337 0.0059 -0.1681 80DMSO CD1 318 1.591 1.081 2.738 0.1922 0.5690 -0.1050 80DMSO OD 319 1.410 0.885 2.821 0.1883 0.2067 0.5331 80DMSO CD2 320 1.385 1.131 2.944 0.3617 -0.4594 0.1105 81DMSO SD 321 0.202 1.473 2.062 0.1886 -0.2555 0.0201 81DMSO CD1 322 0.134 1.325 1.954 0.6196 -0.5666 0.1863 81DMSO OD 323 0.276 1.576 1.976 -0.3531 0.1094 -0.0125 81DMSO CD2 324 0.022 1.533 2.105 0.2148 -0.3192 0.2404 82DMSO SD 325 1.252 0.717 2.313 0.3641 0.0143 -0.4423 82DMSO CD1 326 1.312 0.634 2.147 -0.3322 -0.6231 -0.3810 82DMSO OD 327 1.165 0.615 2.387 0.2760 0.4267 0.0285 82DMSO CD2 328 1.425 0.711 2.402 0.0280 0.0236 0.2171 83DMSO SD 329 2.854 1.414 0.696 0.0873 0.4357 -0.1701 83DMSO CD1 330 3.038 1.394 0.757 -0.0544 0.1824 0.1825 83DMSO OD 331 2.859 1.430 0.544 -0.0007 -0.2717 -0.2508 83DMSO CD2 332 2.800 1.233 0.746 -0.2836 0.5877 0.0022 84DMSO SD 333 0.458 1.141 2.882 0.0406 0.1368 -0.5473 84DMSO CD1 334 0.571 0.982 2.883 -0.2845 -0.0915 -0.5729 84DMSO OD 335 0.559 1.256 2.876 0.3446 -0.1031 -0.0927 84DMSO CD2 336 0.375 1.120 2.706 -0.1355 -0.0858 -0.4311 85DMSO SD 337 1.326 2.068 1.838 -0.4710 0.1070 0.1613 85DMSO CD1 338 1.470 2.134 1.952 0.1499 -0.1132 -0.4902 85DMSO OD 339 1.360 2.101 1.693 0.1074 -0.1674 0.2357 85DMSO CD2 340 1.347 1.876 1.868 -0.5788 -0.0064 -0.4247 86DMSO SD 341 0.507 0.812 2.131 -0.3622 0.1311 0.0973 86DMSO CD1 342 0.506 0.743 1.949 1.0399 0.1046 0.0828 86DMSO OD 343 0.509 0.965 2.129 -0.4392 0.1337 0.1599 86DMSO CD2 344 0.326 0.777 2.194 -0.6060 0.1135 -0.6088 87DMSO SD 345 1.878 0.137 0.737 -0.3480 -0.0439 0.0104 87DMSO CD1 346 1.794 -0.018 0.821 -0.0744 -0.1608 0.0694 87DMSO OD 347 1.794 0.252 0.793 -0.3597 0.2386 -0.5780 87DMSO CD2 348 2.048 0.146 0.832 -0.5044 0.8185 0.2198 88DMSO SD 349 1.287 2.246 0.704 0.3400 -0.1291 -0.0172 88DMSO CD1 350 1.134 2.286 0.817 -0.1205 -0.3798 -0.5398 88DMSO OD 351 1.387 2.359 0.682 0.6020 -0.3512 0.0114 88DMSO CD2 352 1.380 2.128 0.828 0.1035 -0.4888 -0.1783 89DMSO SD 353 1.076 1.778 1.603 -0.0350 -0.2041 0.0272 89DMSO CD1 354 1.194 1.656 1.508 -0.4932 -0.3460 -0.3662 89DMSO OD 355 1.009 1.858 1.491 0.3567 0.2618 0.1228 89DMSO CD2 356 0.944 1.653 1.674 -0.7520 0.4644 -0.1072 90DMSO SD 357 0.096 0.179 0.764 0.5645 0.0202 0.2037 90DMSO CD1 358 -0.009 0.176 0.600 0.2315 0.2899 0.3994 90DMSO OD 359 0.175 0.310 0.776 0.0274 0.3736 0.0298 90DMSO CD2 360 -0.050 0.208 0.890 -0.0480 0.2204 -0.5428 91DMSO SD 361 0.060 1.781 0.893 -0.0520 -0.2076 -0.0605 91DMSO CD1 362 0.113 1.871 1.058 -0.3251 0.2745 -0.2362 91DMSO OD 363 -0.049 1.677 0.921 -0.3295 -0.0305 -0.4673 91DMSO CD2 364 -0.045 1.931 0.827 -1.1358 -0.4189 1.1207 92DMSO SD 365 0.428 2.194 1.795 -0.0482 -0.0398 0.2562 92DMSO CD1 366 0.473 2.277 1.625 0.5035 -0.1042 0.3673 92DMSO OD 367 0.349 2.067 1.763 0.0886 -0.1346 0.2623 92DMSO CD2 368 0.598 2.122 1.857 -0.1521 -0.5822 -0.0796 93DMSO SD 369 2.024 2.825 1.273 0.0652 -0.1376 0.2408 93DMSO CD1 370 2.052 3.018 1.282 -0.3660 -0.0825 0.5839 93DMSO OD 371 1.963 2.799 1.135 -0.6171 0.7119 0.3720 93DMSO CD2 372 2.217 2.797 1.268 0.1040 0.1566 -0.0515 94DMSO SD 373 0.345 0.670 2.675 -0.0395 0.1156 -0.1345 94DMSO CD1 374 0.525 0.606 2.714 0.1072 -0.0335 -1.0145 94DMSO OD 375 0.296 0.763 2.786 -0.4529 -0.2473 -0.0075 94DMSO CD2 376 0.390 0.799 2.536 0.4865 -0.2826 -0.3409 95DMSO SD 377 1.476 0.189 2.634 0.4367 0.0356 0.2774 95DMSO CD1 378 1.421 0.371 2.591 -0.2664 -0.2371 0.0148 95DMSO OD 379 1.387 0.099 2.548 0.6624 -0.6973 0.8047 95DMSO CD2 380 1.651 0.186 2.549 0.4637 -1.1716 0.3566 96DMSO SD 381 1.462 1.887 0.497 0.1601 0.0265 0.4470 96DMSO CD1 382 1.654 1.921 0.510 0.2173 -0.0352 -0.1064 96DMSO OD 383 1.407 1.849 0.634 -0.0871 -0.2783 0.2656 96DMSO CD2 384 1.407 2.068 0.451 -0.0868 -0.1509 0.0441 97DMSO SD 385 0.961 1.195 2.706 0.0539 0.0910 0.1299 97DMSO CD1 386 0.913 1.328 2.572 0.9387 0.2065 -0.0843 97DMSO OD 387 1.112 1.171 2.693 -0.0243 -0.1685 -0.3172 97DMSO CD2 388 0.938 1.303 2.868 0.3846 -0.1615 0.3418 98DMSO SD 389 2.585 1.470 1.402 -0.2832 0.2655 0.1449 98DMSO CD1 390 2.442 1.602 1.396 -0.2198 0.3372 0.3468 98DMSO OD 391 2.678 1.520 1.512 -0.0324 0.7367 -0.2652 98DMSO CD2 392 2.488 1.315 1.469 -0.1997 0.1020 -0.1314 99DMSO SD 393 2.038 0.874 0.934 0.0099 0.1452 0.0585 99DMSO CD1 394 1.911 0.971 1.046 -0.3307 -0.1245 -0.0809 99DMSO OD 395 1.986 0.886 0.791 -0.3915 -0.5618 0.1344 99DMSO CD2 396 2.176 1.009 0.955 0.2420 -0.1675 0.5711 100DMSO SD 397 0.608 0.068 2.360 0.2726 -0.2182 -0.2080 100DMSO CD1 398 0.738 -0.070 2.406 0.0656 -0.2271 0.3965 100DMSO OD 399 0.464 0.017 2.344 0.0339 0.2191 0.5265 100DMSO CD2 400 0.619 0.187 2.513 0.0178 -0.8021 0.2797 101DMSO SD 401 2.541 0.968 2.291 0.0963 0.1489 -0.1637 101DMSO CD1 402 2.490 0.919 2.109 0.2565 -0.0835 -0.1403 101DMSO OD 403 2.597 0.847 2.367 -0.4964 0.0572 0.1389 101DMSO CD2 404 2.707 1.050 2.232 0.3061 -0.1277 0.0346 102DMSO SD 405 0.629 1.973 0.719 0.3509 -0.0200 0.5390 102DMSO CD1 406 0.676 2.162 0.714 0.3938 -0.0401 0.1071 102DMSO OD 407 0.515 1.961 0.821 -0.1986 -0.4479 -0.1136 102DMSO CD2 408 0.553 1.967 0.539 0.4058 -0.2096 0.5117 103DMSO SD 409 2.039 0.982 0.029 0.1833 0.0424 -0.1325 103DMSO CD1 410 2.010 0.834 0.152 0.0457 -0.1040 -0.3238 103DMSO OD 411 1.906 0.998 -0.045 0.2686 0.1808 -0.2516 103DMSO CD2 412 2.057 1.129 0.155 0.3392 -0.2314 0.1656 104DMSO SD 413 0.876 2.324 0.384 -0.2570 -0.0049 -0.0039 104DMSO CD1 414 0.878 2.214 0.224 0.2622 -0.5095 0.3540 104DMSO OD 415 0.925 2.464 0.347 -0.6843 0.0747 -0.2733 104DMSO CD2 416 0.682 2.341 0.400 -0.2055 0.5763 0.0523 105DMSO SD 417 1.597 0.932 0.372 0.1206 0.2313 0.0519 105DMSO CD1 418 1.412 0.872 0.349 0.2772 -0.0461 -0.5012 105DMSO OD 419 1.663 0.797 0.399 -0.4849 -0.1604 -0.3926 105DMSO CD2 420 1.647 0.973 0.188 0.4992 0.6778 0.2516 106DMSO SD 421 2.606 1.658 0.232 -0.1397 -0.1376 -0.1464 106DMSO CD1 422 2.738 1.514 0.234 -0.2130 -0.2158 -0.1342 106DMSO OD 423 2.628 1.751 0.352 -0.5670 -0.6492 0.3407 106DMSO CD2 424 2.690 1.766 0.093 0.1366 -0.2356 -0.0564 107DMSO SD 425 2.613 2.220 1.658 0.0119 0.0243 0.0181 107DMSO CD1 426 2.531 2.053 1.717 -0.1463 0.2493 0.4400 107DMSO OD 427 2.626 2.234 1.506 -0.0278 0.2090 0.0312 107DMSO CD2 428 2.476 2.344 1.719 -0.2533 -0.2320 -0.0536 108DMSO SD 429 1.733 0.864 1.841 -0.1562 -0.2969 -0.0235 108DMSO CD1 430 1.858 0.777 1.962 0.0554 -0.0410 -0.0588 108DMSO OD 431 1.718 0.774 1.718 0.2288 -0.0845 -0.2297 108DMSO CD2 432 1.586 0.813 1.958 -0.2254 -0.2918 -0.1063 109DMSO SD 433 1.224 0.496 0.028 -0.1609 0.0779 0.2900 109DMSO CD1 434 1.205 0.608 -0.131 0.0134 -0.0909 0.1495 109DMSO OD 435 1.341 0.403 -0.003 -0.0598 0.2145 0.2596 109DMSO CD2 436 1.302 0.642 0.131 0.3869 0.3299 -0.4742 110DMSO SD 437 2.282 2.546 2.809 0.2257 0.0805 -0.2098 110DMSO CD1 438 2.168 2.522 2.966 -0.3378 0.5472 -0.5387 110DMSO OD 439 2.183 2.558 2.693 0.0147 0.2780 -0.0086 110DMSO CD2 440 2.320 2.732 2.854 -0.2651 0.2164 -0.3520 111DMSO SD 441 0.804 2.723 1.491 0.0517 0.3680 -0.5189 111DMSO CD1 442 0.699 2.570 1.552 0.0996 0.2953 -0.6139 111DMSO OD 443 0.818 2.735 1.339 0.3318 0.3542 -0.4953 111DMSO CD2 444 0.668 2.852 1.548 0.3761 0.5181 -0.0781 112DMSO SD 445 1.181 0.519 1.099 -0.0826 -0.0729 0.4382 112DMSO CD1 446 1.278 0.360 1.156 0.1448 -0.1238 -0.0911 112DMSO OD 447 1.061 0.533 1.193 0.0809 -0.0790 0.6515 112DMSO CD2 448 1.318 0.648 1.148 0.2776 -0.3487 0.1354 113DMSO SD 449 0.457 2.509 2.383 0.1696 0.3233 0.0752 113DMSO CD1 450 0.641 2.458 2.422 -0.1013 -0.0961 0.8221 113DMSO OD 451 0.370 2.385 2.407 0.2973 0.1611 -0.2936 113DMSO CD2 452 0.422 2.622 2.538 -0.8641 0.0554 0.0463 114DMSO SD 453 2.401 0.836 2.808 -0.2128 -0.1463 -0.0981 114DMSO CD1 454 2.248 0.759 2.716 -0.2328 0.1590 -0.3216 114DMSO OD 455 2.496 0.727 2.858 -0.4117 -0.5898 -0.6822 114DMSO CD2 456 2.489 0.887 2.641 -0.0253 0.4162 0.1670 115DMSO SD 457 1.770 2.585 0.424 -0.0344 0.4057 0.2767 115DMSO CD1 458 1.617 2.622 0.308 -0.0173 -0.8045 -0.1565 115DMSO OD 459 1.896 2.556 0.342 -0.4847 -0.3446 -0.1652 115DMSO CD2 460 1.781 2.767 0.491 -0.2077 0.3592 0.4356 116DMSO SD 461 1.048 2.513 2.212 0.4781 0.2156 0.1028 116DMSO CD1 462 0.964 2.358 2.294 0.1961 0.4278 0.2207 116DMSO OD 463 0.973 2.633 2.271 -0.3278 -0.2685 0.0908 116DMSO CD2 464 1.218 2.490 2.305 0.4885 0.3585 0.1330 117DMSO SD 465 0.309 0.273 2.710 -0.4076 0.2875 -0.2674 117DMSO CD1 466 0.218 0.283 2.882 0.1233 -0.2716 0.0488 117DMSO OD 467 0.452 0.311 2.747 -0.3140 -0.6537 0.3729 117DMSO CD2 468 0.299 0.081 2.681 -0.1564 0.2214 0.0721 118DMSO SD 469 2.140 2.505 0.996 0.0912 -0.1371 -0.3457 118DMSO CD1 470 2.117 2.638 0.855 0.1457 -0.2322 -0.4480 118DMSO OD 471 2.221 2.561 1.112 0.0943 0.0021 -0.4066 118DMSO CD2 472 1.958 2.484 1.064 0.2792 0.3482 0.2983 119DMSO SD 473 1.142 1.579 2.039 0.0294 -0.2290 -0.1878 119DMSO CD1 474 1.096 1.433 1.918 0.3358 -0.2270 -0.2993 119DMSO OD 475 1.097 1.710 1.973 0.4293 0.0516 0.0982 119DMSO CD2 476 1.001 1.555 2.171 0.2286 0.1365 0.0964 120DMSO SD 477 0.324 1.059 1.605 0.2198 0.0240 -0.4507 120DMSO CD1 478 0.502 1.014 1.537 0.3518 0.4225 -0.3698 120DMSO OD 479 0.242 0.930 1.610 0.3337 -0.0506 -0.4857 120DMSO CD2 480 0.368 1.108 1.788 0.4653 -0.9913 -0.2319 121DMSO SD 481 0.880 0.411 2.249 -0.0859 0.1027 -0.4500 121DMSO CD1 482 0.774 0.562 2.187 -0.2706 0.0611 -0.2542 121DMSO OD 483 0.815 0.278 2.213 0.3090 -0.0896 -0.4612 121DMSO CD2 484 1.032 0.440 2.131 -0.0434 -0.5380 -0.5579 122DMSO SD 485 1.772 1.961 1.094 -0.1146 0.1997 -0.0458 122DMSO CD1 486 1.700 2.005 0.918 0.2429 0.7871 -0.0506 122DMSO OD 487 1.861 1.836 1.087 -0.3834 0.0174 -0.1813 122DMSO CD2 488 1.888 2.117 1.108 0.0931 0.0578 -0.0269 123DMSO SD 489 1.420 1.356 1.780 -0.1739 -0.1670 0.0523 123DMSO CD1 490 1.467 1.325 1.594 0.8104 -0.5050 0.3452 123DMSO OD 491 1.546 1.313 1.855 -0.0606 -0.4869 -0.3185 123DMSO CD2 492 1.440 1.550 1.769 -0.3335 -0.1727 -0.3403 124DMSO SD 493 1.602 1.608 2.313 0.4085 -0.2796 0.0905 124DMSO CD1 494 1.616 1.549 2.127 0.1305 -0.7141 0.2055 124DMSO OD 495 1.732 1.683 2.343 0.4296 -0.2294 -0.1166 124DMSO CD2 496 1.441 1.715 2.291 0.7070 0.2418 0.4127 125DMSO SD 497 0.549 1.608 0.734 -0.1525 -0.0255 0.5367 125DMSO CD1 498 0.547 1.416 0.766 0.0623 -0.1228 -0.0210 125DMSO OD 499 0.483 1.644 0.601 0.5245 0.2849 0.2742 125DMSO CD2 500 0.410 1.666 0.858 -0.9275 -0.2114 -0.2482 126DMSO SD 501 0.718 1.491 0.375 -0.2052 -0.3118 0.6995 126DMSO CD1 502 0.607 1.347 0.305 0.5428 -0.5009 -0.1221 126DMSO OD 503 0.854 1.479 0.305 -0.1991 -0.0021 0.6538 126DMSO CD2 504 0.632 1.634 0.275 -0.4927 -0.6809 0.4176 127DMSO SD 505 0.903 2.163 2.683 0.2428 0.0757 -0.4779 127DMSO CD1 506 0.963 2.020 2.801 -0.3007 0.0693 -0.2046 127DMSO OD 507 1.012 2.219 2.591 0.0249 0.5391 -0.4580 127DMSO CD2 508 0.778 2.077 2.560 0.0112 -0.4252 0.1084 128DMSO SD 509 1.434 2.617 1.971 -0.0859 0.1283 -0.3023 128DMSO CD1 510 1.299 2.736 1.895 -0.3933 -0.0947 -0.1116 128DMSO OD 511 1.359 2.489 2.010 0.0457 0.2286 0.2792 128DMSO CD2 512 1.517 2.590 1.796 0.0374 -0.1441 -0.2023 129DMSO SD 513 2.504 0.201 0.746 -0.3364 -0.0633 -0.0937 129DMSO CD1 514 2.459 0.388 0.783 0.1093 -0.1392 0.8600 129DMSO OD 515 2.374 0.121 0.762 0.1032 -0.8447 -0.3458 129DMSO CD2 516 2.533 0.209 0.553 -0.4621 0.3827 -0.0963 130DMSO SD 517 2.757 2.190 0.393 -0.1574 0.3281 -0.3412 130DMSO CD1 518 2.687 2.365 0.441 -0.6692 -0.0163 0.1980 130DMSO OD 519 2.865 2.159 0.497 -0.0507 0.3532 -0.4407 130DMSO CD2 520 2.608 2.078 0.448 0.5738 -0.3141 0.3603 131DMSO SD 521 0.682 1.250 2.266 0.1973 0.0018 0.3190 131DMSO CD1 522 0.663 1.082 2.363 0.4996 -0.4440 -0.3847 131DMSO OD 523 0.769 1.241 2.140 -0.1852 -0.3345 0.0728 131DMSO CD2 524 0.499 1.249 2.196 0.2899 0.6675 0.0545 132DMSO SD 525 1.504 0.058 2.159 0.0986 -0.1232 -0.2844 132DMSO CD1 526 1.402 0.196 2.252 0.3875 0.1905 -0.4296 132DMSO OD 527 1.649 0.099 2.182 0.1503 -0.1545 -0.5521 132DMSO CD2 528 1.450 -0.094 2.269 -0.3381 0.3558 0.1695 133DMSO SD 529 1.551 0.907 1.301 0.0302 0.4445 -0.1303 133DMSO CD1 530 1.586 0.976 1.480 -0.0725 -0.2787 0.1624 133DMSO OD 531 1.597 1.015 1.204 -0.2682 0.5460 -0.1608 133DMSO CD2 532 1.676 0.757 1.283 0.2005 0.6067 -0.3126 134DMSO SD 533 0.376 0.408 2.352 0.1977 -0.1167 0.4029 134DMSO CD1 534 0.348 0.382 2.161 -0.2598 0.2795 0.4078 134DMSO OD 535 0.428 0.552 2.363 -0.0606 0.0324 -0.1992 134DMSO CD2 536 0.189 0.400 2.406 -0.0780 -0.3566 -0.5636 135DMSO SD 537 2.878 2.311 2.551 -0.1371 0.2657 -0.0181 135DMSO CD1 538 2.961 2.479 2.604 0.5002 0.1187 -0.5305 135DMSO OD 539 2.728 2.342 2.544 -0.2185 -0.1299 -0.1708 135DMSO CD2 540 2.938 2.341 2.368 0.4312 0.0793 0.1359 136DMSO SD 541 0.699 2.552 0.789 -0.3341 -0.2693 -0.1130 136DMSO CD1 542 0.531 2.543 0.691 -0.3915 0.1928 -0.0456 136DMSO OD 543 0.745 2.423 0.857 -0.3594 0.0057 0.4315 136DMSO CD2 544 0.815 2.616 0.645 -0.0451 0.2491 0.3449 137DMSO SD 545 1.472 0.291 0.325 -0.1886 0.2542 0.1314 137DMSO CD1 546 1.370 0.139 0.257 0.3951 0.0895 -0.3888 137DMSO OD 547 1.374 0.382 0.399 -0.6422 -0.2500 0.1591 137DMSO CD2 548 1.576 0.209 0.468 -0.0191 0.5139 0.1521 138DMSO SD 549 0.476 0.126 1.872 0.3415 -0.0462 0.2664 138DMSO CD1 550 0.316 0.024 1.917 0.2154 -0.0807 -0.2612 138DMSO OD 551 0.585 0.028 1.828 0.5961 0.5114 -0.3713 138DMSO CD2 552 0.407 0.207 1.708 0.3921 0.5502 0.5344 139DMSO SD 553 2.116 0.912 1.635 0.1312 -0.1593 -0.0031 139DMSO CD1 554 2.034 0.920 1.459 -0.0192 0.0382 0.0739 139DMSO OD 555 2.254 0.973 1.610 -0.1758 0.6495 0.2151 139DMSO CD2 556 2.007 1.059 1.703 -0.5409 -0.8247 0.3789 140DMSO SD 557 0.493 2.206 1.247 -0.4223 -0.0542 0.0498 140DMSO CD1 558 0.478 2.014 1.275 0.0058 -0.1650 -0.4512 140DMSO OD 559 0.643 2.228 1.271 -0.3654 -0.0491 -0.3284 140DMSO CD2 560 0.460 2.187 1.056 -0.1231 -0.2276 0.0098 141DMSO SD 561 1.367 0.380 1.932 -0.1687 -0.5778 -0.1172 141DMSO CD1 562 1.491 0.258 1.844 0.2418 -0.0939 -0.2013 141DMSO OD 563 1.429 0.520 1.920 -0.1027 -0.6343 -0.4107 141DMSO CD2 564 1.215 0.360 1.812 -0.1037 0.2856 -0.3650 142DMSO SD 565 1.355 2.628 0.550 -0.0999 -0.0832 0.0556 142DMSO CD1 566 1.198 2.550 0.465 -0.2682 -0.1349 0.4175 142DMSO OD 567 1.396 2.758 0.480 -0.6365 0.2184 0.3019 142DMSO CD2 568 1.273 2.665 0.723 -0.1094 0.2233 -0.0039 143DMSO SD 569 1.054 1.283 1.460 0.3902 0.1688 -0.4272 143DMSO CD1 570 0.886 1.186 1.476 0.2590 0.4657 0.0056 143DMSO OD 571 1.087 1.366 1.584 0.2149 0.0923 -0.3287 143DMSO CD2 572 1.166 1.123 1.460 -0.2174 -0.2652 0.5351 144DMSO SD 573 1.761 2.339 2.246 -0.4389 0.1733 -0.2614 144DMSO CD1 574 1.570 2.310 2.276 -0.2967 -0.1323 0.3738 144DMSO OD 575 1.823 2.200 2.237 0.4928 0.5481 0.2193 144DMSO CD2 576 1.730 2.416 2.070 -0.0901 0.5084 -0.1719 145DMSO SD 577 1.817 0.364 2.133 -0.4628 -0.2088 -0.0437 145DMSO CD1 578 1.668 0.484 2.171 -0.4804 -0.0461 -0.6171 145DMSO OD 579 1.912 0.457 2.058 -0.2502 -0.1616 0.2826 145DMSO CD2 580 1.895 0.350 2.311 0.2323 0.0226 -0.3303 146DMSO SD 581 2.246 2.018 2.400 -0.3376 0.0613 0.2552 146DMSO CD1 582 2.110 2.152 2.441 -0.1727 0.3195 -0.0336 146DMSO OD 583 2.350 2.073 2.302 -0.4981 -0.1498 -0.0324 146DMSO CD2 584 2.333 1.986 2.571 -0.0744 0.7261 0.2563 147DMSO SD 585 0.259 2.042 2.281 0.2419 0.0130 -0.0623 147DMSO CD1 586 0.258 1.940 2.115 0.2771 0.1321 -0.1373 147DMSO OD 587 0.252 1.959 2.409 0.0100 0.4371 0.2050 147DMSO CD2 588 0.445 2.099 2.279 0.0476 0.6331 0.0665 148DMSO SD 589 1.048 2.460 1.697 0.1255 0.0430 0.0201 148DMSO CD1 590 1.127 2.351 1.838 0.3987 0.2525 0.0355 148DMSO OD 591 1.037 2.608 1.735 0.1327 0.0515 -0.0086 148DMSO CD2 592 1.198 2.456 1.572 -0.0175 -0.0880 -0.1489 149DMSO SD 593 2.504 1.655 1.792 -0.0640 -0.2806 -0.0496 149DMSO CD1 594 2.681 1.575 1.812 0.1608 0.1786 -0.1236 149DMSO OD 595 2.501 1.731 1.659 0.6272 -0.2788 -0.0716 149DMSO CD2 596 2.399 1.494 1.765 0.2910 -0.3886 -0.8544 150DMSO SD 597 2.096 1.612 2.556 0.2447 -0.0497 -0.0682 150DMSO CD1 598 2.071 1.696 2.382 0.2567 1.0148 0.4405 150DMSO OD 599 2.174 1.710 2.644 -0.3421 -0.1163 0.5318 150DMSO CD2 600 1.912 1.604 2.619 0.3438 0.1645 0.2525 151DMSO SD 601 1.215 0.081 1.571 -0.5589 0.0651 -0.2396 151DMSO CD1 602 1.175 -0.069 1.452 0.1236 -0.1781 -0.1634 151DMSO OD 603 1.181 0.212 1.501 -0.0402 0.1105 -0.4187 151DMSO CD2 604 1.082 0.041 1.708 -0.3162 0.7320 0.1859 152DMSO SD 605 2.293 0.605 1.038 0.1429 -0.4849 0.1823 152DMSO CD1 606 2.203 0.661 1.202 0.8484 0.1564 0.3499 152DMSO OD 607 2.425 0.539 1.079 0.3471 -0.1771 0.0331 152DMSO CD2 608 2.155 0.473 0.996 -0.2997 -0.0333 0.1661 153DMSO SD 609 1.172 2.044 2.366 -0.0449 0.1729 0.1518 153DMSO CD1 610 1.259 2.010 2.537 -0.2338 0.1899 0.2526 153DMSO OD 611 1.288 2.070 2.270 0.1103 -0.2843 0.2080 153DMSO CD2 612 1.107 1.861 2.347 0.2508 0.0072 0.7309 154DMSO SD 613 1.320 1.742 0.029 -0.0595 -0.3656 0.0203 154DMSO CD1 614 1.186 1.799 0.159 -0.0817 -0.2133 -0.0686 154DMSO OD 615 1.263 1.794 -0.103 -0.4796 -0.2233 0.2549 154DMSO CD2 616 1.471 1.848 0.092 0.0985 -0.2867 -0.4825 155DMSO SD 617 1.150 0.996 0.772 0.0993 0.2196 -0.2073 155DMSO CD1 618 1.123 1.173 0.849 -0.6772 -0.0474 0.1523 155DMSO OD 619 1.071 0.889 0.847 0.1662 0.0500 -0.3701 155DMSO CD2 620 1.067 1.030 0.599 -0.3142 0.1968 -0.0091 156DMSO SD 621 0.778 0.517 1.777 0.3797 0.0661 0.0544 156DMSO CD1 622 0.799 0.325 1.805 0.3310 0.0080 -0.2983 156DMSO OD 623 0.846 0.599 1.886 0.3763 -0.2121 0.2657 156DMSO CD2 624 0.886 0.536 1.615 -0.1285 -0.6314 -0.3843 157DMSO SD 625 0.480 1.548 1.713 -0.0474 -0.0907 -0.1302 157DMSO CD1 626 0.499 1.725 1.792 -0.0201 0.2339 -0.8574 157DMSO OD 627 0.567 1.548 1.588 0.3403 0.2287 0.1374 157DMSO CD2 628 0.570 1.443 1.850 -0.4316 -0.2750 -0.0154 158DMSO SD 629 0.856 2.065 2.111 -0.1651 -0.0590 -0.0391 158DMSO CD1 630 0.839 1.879 2.056 -0.0812 0.1094 -0.6167 158DMSO OD 631 0.850 2.081 2.263 0.2694 -0.0854 -0.0191 158DMSO CD2 632 1.035 2.085 2.037 -0.0659 1.5751 0.6037 159DMSO SD 633 2.838 0.900 2.619 0.2990 -0.0475 -0.3719 159DMSO CD1 634 2.875 0.950 2.804 0.1332 -0.4595 -0.2259 159DMSO OD 635 2.938 0.961 2.520 0.2830 0.5296 -0.0333 159DMSO CD2 636 2.871 0.709 2.646 0.0858 -0.0978 -0.3972 160DMSO SD 637 0.729 1.039 1.855 0.4033 -0.3943 0.3485 160DMSO CD1 638 0.855 1.188 1.852 0.1356 -0.1763 0.2640 160DMSO OD 639 0.734 0.962 1.723 -0.2241 -0.2957 0.2627 160DMSO CD2 640 0.816 0.925 1.987 -0.0295 -0.9507 0.1513 161DMSO SD 641 1.068 0.016 2.096 -0.0591 0.0677 -0.1827 161DMSO CD1 642 0.884 0.018 2.031 0.0347 0.0448 -0.4495 161DMSO OD 643 1.139 0.140 2.041 -0.3527 0.2661 -0.1240 161DMSO CD2 644 1.038 0.068 2.282 -0.4505 0.5552 -0.3757 162DMSO SD 645 2.070 1.404 0.961 0.2323 -0.6975 0.0547 162DMSO CD1 646 2.265 1.413 0.958 0.1705 0.8047 0.4531 162DMSO OD 647 2.039 1.315 1.082 -0.7955 -0.0415 0.2867 162DMSO CD2 648 2.035 1.591 1.001 -0.0895 -0.7003 -0.2125 163DMSO SD 649 1.961 1.936 1.562 -0.4267 0.3436 0.4410 163DMSO CD1 650 2.001 1.831 1.403 -0.2991 0.4544 0.3989 163DMSO OD 651 1.830 1.891 1.626 -0.2833 0.7110 1.0046 163DMSO CD2 652 2.108 1.850 1.659 -0.2323 -0.1017 -0.2518 164DMSO SD 653 1.188 0.944 1.911 -0.2782 -0.2675 0.1878 164DMSO CD1 654 1.135 0.758 1.880 0.8256 -0.7036 0.8622 164DMSO OD 655 1.263 0.936 2.044 0.0089 -0.1018 0.0347 164DMSO CD2 656 1.319 0.971 1.770 0.0026 0.1839 0.5326 165DMSO SD 657 1.791 0.450 0.154 0.0215 0.3325 -0.2383 165DMSO CD1 658 1.703 0.339 0.020 -0.5234 -0.0636 0.4493 165DMSO OD 659 1.918 0.505 0.090 0.0240 0.5022 -0.0794 165DMSO CD2 660 1.645 0.578 0.173 -0.0378 0.1825 0.4341 166DMSO SD 661 2.064 1.503 1.486 -0.0331 -0.0087 0.4572 166DMSO CD1 662 2.094 1.311 1.484 -0.0302 -0.0043 0.1865 166DMSO OD 663 2.148 1.581 1.384 0.1960 -0.5856 0.1940 166DMSO CD2 664 1.885 1.499 1.410 -0.0712 -1.3472 0.6192 167DMSO SD 665 2.263 2.122 0.108 -0.2297 0.1813 0.1929 167DMSO CD1 666 2.403 2.255 0.132 -0.3150 0.3548 -0.2026 167DMSO OD 667 2.265 2.084 -0.041 0.4679 0.2043 0.1915 167DMSO CD2 668 2.363 1.982 0.200 0.4052 0.2834 -0.3283 168DMSO SD 669 0.117 2.269 0.737 -0.1346 -0.0546 -0.3640 168DMSO CD1 670 0.305 2.223 0.712 -0.1321 -0.0391 -0.3489 168DMSO OD 671 0.085 2.255 0.886 -0.4892 -0.3039 -0.4624 168DMSO CD2 672 0.119 2.460 0.694 0.0889 0.1445 0.5230 169DMSO SD 673 0.596 0.146 0.132 0.0566 0.3260 -0.3020 169DMSO CD1 674 0.649 0.017 -0.004 0.1754 -0.2245 0.2572 169DMSO OD 675 0.639 0.097 0.270 -0.1787 -0.6318 -0.5615 169DMSO CD2 676 0.733 0.268 0.066 0.1099 0.3647 -0.1238 170DMSO SD 677 0.538 1.880 2.809 0.4107 -0.1246 0.0415 170DMSO CD1 678 0.617 2.006 2.935 0.3454 0.2421 -0.2837 170DMSO OD 679 0.569 1.749 2.883 -0.4922 -0.4225 -0.0924 170DMSO CD2 680 0.351 1.926 2.837 0.2746 -0.2459 -0.6329 171DMSO SD 681 2.566 2.694 1.307 -0.1653 -0.0415 -0.1119 171DMSO CD1 682 2.632 2.826 1.435 -0.3651 -0.0646 0.0175 171DMSO OD 683 2.679 2.630 1.227 0.5546 0.7292 0.2639 171DMSO CD2 684 2.501 2.568 1.441 -0.1863 0.0849 -0.0005 172DMSO SD 685 1.675 2.096 2.529 -0.3535 0.1203 -0.1738 172DMSO CD1 686 1.607 1.982 2.671 -0.4500 0.4515 0.0430 172DMSO OD 687 1.762 2.205 2.591 0.0834 -0.3155 -0.0107 172DMSO CD2 688 1.822 1.980 2.474 -0.3094 0.1946 -0.2161 173DMSO SD 689 1.266 1.260 2.274 -0.0234 0.2192 -0.1372 173DMSO CD1 690 1.256 1.126 2.414 -0.2467 0.3253 -0.0511 173DMSO OD 691 1.332 1.385 2.332 0.0195 0.0229 0.2428 173DMSO CD2 692 1.382 1.191 2.132 0.6480 0.8817 0.0812 174DMSO SD 693 2.343 1.339 2.089 -0.2559 0.2204 0.1801 174DMSO CD1 694 2.375 1.381 2.277 0.0271 -0.1672 0.2233 174DMSO OD 695 2.475 1.293 2.026 -0.3816 0.3194 -0.1596 174DMSO CD2 696 2.223 1.188 2.116 0.2451 -0.1707 0.2670 175DMSO SD 697 2.127 0.392 0.495 0.0122 0.3820 0.3899 175DMSO CD1 698 2.162 0.494 0.333 -0.6112 -0.3095 -0.1854 175DMSO OD 699 2.140 0.488 0.614 0.4100 0.5191 0.2433 175DMSO CD2 700 1.935 0.375 0.470 0.0303 0.1945 0.4298 176DMSO SD 701 0.239 1.785 0.401 -0.5069 0.2832 0.0894 176DMSO CD1 702 0.230 1.590 0.391 0.0746 0.2518 0.1275 176DMSO OD 703 0.231 1.817 0.252 -0.9473 -0.3318 -0.0230 176DMSO CD2 704 0.064 1.799 0.485 -0.2960 0.5595 0.4891 177DMSO SD 705 1.396 0.016 1.071 -0.1144 0.1569 0.0587 177DMSO CD1 706 1.503 0.128 0.953 0.1135 -0.0272 0.0886 177DMSO OD 707 1.365 -0.107 0.986 0.3799 0.0701 0.0062 177DMSO CD2 708 1.553 -0.023 1.181 0.3381 -0.1884 -0.7117 178DMSO SD 709 2.319 0.193 2.237 -0.2670 0.0102 0.3959 178DMSO CD1 710 2.471 0.275 2.147 -0.4940 -0.4100 -0.3750 178DMSO OD 711 2.272 0.280 2.354 -0.1281 0.1917 0.3198 178DMSO CD2 712 2.201 0.220 2.085 0.7844 0.0157 -0.4319 179DMSO SD 713 0.230 0.620 0.617 0.1583 -0.2518 -0.1791 179DMSO CD1 714 0.130 0.664 0.456 0.0641 0.6493 0.1216 179DMSO OD 715 0.271 0.765 0.647 -0.1482 -0.0426 -0.7612 179DMSO CD2 716 0.069 0.585 0.720 0.0834 0.3038 -0.1042 180DMSO SD 717 2.359 2.527 2.307 -0.1165 -0.0396 -0.2913 180DMSO CD1 718 2.200 2.601 2.392 0.1767 -0.0575 0.2958 180DMSO OD 719 2.464 2.638 2.298 0.0850 -0.2782 -0.9689 180DMSO CD2 720 2.414 2.407 2.451 0.2623 -0.1531 -0.5156 181DMSO SD 721 1.881 1.433 1.866 0.3126 0.0091 -0.0188 181DMSO CD1 722 1.831 1.593 1.767 -0.1053 0.1206 0.3704 181DMSO OD 723 1.982 1.363 1.775 0.3560 -0.4274 0.3566 181DMSO CD2 724 1.981 1.517 2.012 0.3822 0.4205 -0.3030 182DMSO SD 725 0.326 2.397 0.306 -0.0782 0.0883 0.0799 182DMSO CD1 726 0.136 2.374 0.344 -0.0743 -0.0801 0.0063 182DMSO OD 727 0.385 2.412 0.446 0.2287 -0.5969 0.0220 182DMSO CD2 728 0.350 2.211 0.254 -0.4572 -0.0446 0.3519 183DMSO SD 729 0.067 1.084 0.291 -0.1385 -0.2201 -0.2065 183DMSO CD1 730 0.171 1.086 0.456 0.4652 -0.1882 -0.5817 183DMSO OD 731 0.016 0.942 0.268 0.0739 -0.1577 -1.1117 183DMSO CD2 732 -0.082 1.192 0.354 0.3045 0.4748 -0.3061 184DMSO SD 733 0.039 2.149 -0.022 -0.1551 0.5456 -0.1496 184DMSO CD1 734 -0.155 2.168 -0.033 -0.1401 0.7730 -0.0391 184DMSO OD 735 0.100 2.275 0.038 0.3040 0.5380 -0.5956 184DMSO CD2 736 0.065 2.013 0.116 0.2010 0.7491 -0.0147 185DMSO SD 737 0.809 0.351 1.104 0.0639 -0.1681 0.2080 185DMSO CD1 738 0.888 0.181 1.158 -0.0080 -0.1683 0.3252 185DMSO OD 739 0.658 0.331 1.088 0.0164 -0.0265 0.4699 185DMSO CD2 740 0.820 0.443 1.276 -0.1125 0.4117 -0.0879 186DMSO SD 741 1.582 1.429 1.178 -0.0836 -0.3788 0.2447 186DMSO CD1 742 1.724 1.321 1.098 0.0486 -0.3623 0.4322 186DMSO OD 743 1.517 1.509 1.066 0.0144 -0.0023 0.4566 186DMSO CD2 744 1.458 1.283 1.218 -0.4545 -0.1671 -0.1037 187DMSO SD 745 0.026 2.726 -0.025 0.0808 0.1849 -0.1883 187DMSO CD1 746 0.014 2.816 0.147 -0.1929 0.3271 -0.2842 187DMSO OD 747 0.172 2.681 -0.029 0.0264 0.0114 -0.2821 187DMSO CD2 748 -0.097 2.576 -0.000 0.2227 0.1327 0.2141 188DMSO SD 749 2.308 1.625 0.476 0.1520 0.1563 0.1143 188DMSO CD1 750 2.287 1.526 0.309 0.0827 0.2038 0.0899 188DMSO OD 751 2.276 1.772 0.449 -0.0720 0.2359 0.7602 188DMSO CD2 752 2.158 1.568 0.587 0.2636 -0.8618 -0.2621 189DMSO SD 753 2.593 0.288 1.271 0.1819 -0.2789 -0.4347 189DMSO CD1 754 2.546 0.457 1.356 1.4617 -0.1239 0.0028 189DMSO OD 755 2.637 0.211 1.396 -0.3781 -0.0059 -0.0657 189DMSO CD2 756 2.410 0.237 1.227 0.0538 0.2526 -0.5684 190DMSO SD 757 2.393 1.477 -0.043 0.0426 -0.5414 0.0704 190DMSO CD1 758 2.340 1.662 -0.015 0.4222 -0.3593 -0.3541 190DMSO OD 759 2.475 1.438 0.080 0.0837 -0.1082 0.1761 190DMSO CD2 760 2.222 1.386 -0.019 -0.2866 -0.0182 -0.2640 191DMSO SD 761 1.426 0.509 0.682 -0.1246 0.0377 0.1999 191DMSO CD1 762 1.565 0.603 0.583 -0.0945 -0.5540 -0.3254 191DMSO OD 763 1.431 0.544 0.831 0.9135 0.4520 0.0736 191DMSO CD2 764 1.271 0.612 0.624 0.3751 0.4102 -0.4852 192DMSO SD 765 0.458 0.771 0.309 0.2015 0.3997 -0.2951 192DMSO CD1 766 0.554 0.660 0.181 0.1738 -0.3338 0.3085 192DMSO OD 767 0.527 0.905 0.329 0.5907 0.1408 0.1112 192DMSO CD2 768 0.309 0.815 0.191 -0.0749 -0.3164 -0.2203 193DMSO SD 769 0.141 2.931 2.317 -0.2157 -0.2062 -0.0861 193DMSO CD1 770 0.016 2.899 2.171 0.0250 0.0049 -0.3403 193DMSO OD 771 0.065 2.969 2.444 -0.5411 -0.5072 -0.1906 193DMSO CD2 772 0.208 2.748 2.326 -0.0677 -0.1434 0.1048 194DMSO SD 773 2.525 2.209 0.910 0.1612 -0.1880 -0.0201 194DMSO CD1 774 2.688 2.182 1.013 0.0767 0.7284 0.3851 194DMSO OD 775 2.414 2.123 0.971 0.1267 0.0851 0.2987 194DMSO CD2 776 2.485 2.384 0.987 0.7945 0.0585 -0.2435 195DMSO SD 777 2.050 0.204 2.586 0.1599 -0.0480 0.2195 195DMSO CD1 778 2.217 0.127 2.651 0.0037 0.3714 1.1371 195DMSO OD 779 1.949 0.129 2.673 0.4907 -0.3491 0.3453 195DMSO CD2 780 2.085 0.383 2.655 -0.4045 0.2899 -0.3580 196DMSO SD 781 1.744 0.642 2.585 0.0504 0.0463 -0.5525 196DMSO CD1 782 1.910 0.717 2.655 0.3088 -1.0352 0.0215 196DMSO OD 783 1.731 0.490 2.596 0.5257 0.0490 0.1210 196DMSO CD2 784 1.628 0.688 2.735 0.4828 -0.0142 -0.1985 197DMSO SD 785 2.479 0.980 0.366 -0.1036 -0.1347 0.2435 197DMSO CD1 786 2.603 0.920 0.228 0.0702 -0.4369 0.5299 197DMSO OD 787 2.555 1.019 0.493 -0.0647 -0.0442 0.1936 197DMSO CD2 788 2.394 1.121 0.260 0.2174 -0.4294 -0.4146 198DMSO SD 789 2.073 0.553 1.652 -0.2987 0.3349 0.0174 198DMSO CD1 790 1.953 0.439 1.754 -0.3820 0.1532 -0.2817 198DMSO OD 791 2.185 0.466 1.594 -0.2211 0.3388 0.1617 198DMSO CD2 792 1.942 0.585 1.511 0.0405 -0.7390 -0.5612 199DMSO SD 793 2.348 2.792 0.411 -0.0739 -0.1142 0.1751 199DMSO CD1 794 2.248 2.627 0.439 -0.2279 -0.0411 0.0694 199DMSO OD 795 2.329 2.857 0.274 0.7038 -0.2502 0.0011 199DMSO CD2 796 2.226 2.897 0.522 -0.0331 0.6099 -0.4490 200DMSO SD 797 0.605 0.134 0.647 -0.0462 -0.2846 0.0058 200DMSO CD1 798 0.796 0.155 0.680 -0.0575 -0.4839 0.2066 200DMSO OD 799 0.579 -0.014 0.677 0.6258 -0.4649 -0.2767 200DMSO CD2 800 0.542 0.228 0.805 -0.0580 -0.0760 -0.1219 201DMSO SD 801 1.585 1.731 1.446 -0.1947 -0.0247 0.3547 201DMSO CD1 802 1.530 1.888 1.547 0.5073 0.5125 -0.0998 201DMSO OD 803 1.506 1.607 1.491 -0.4009 0.2261 0.6904 201DMSO CD2 804 1.515 1.781 1.271 0.1125 -0.6604 0.0497 202DMSO SD 805 -0.037 1.908 1.848 0.3234 0.0831 0.1783 202DMSO CD1 806 0.113 1.787 1.816 0.3056 0.1751 -0.2702 202DMSO OD 807 -0.040 1.937 1.998 0.3274 -0.8189 0.3496 202DMSO CD2 808 0.037 2.055 1.743 -0.2584 0.1357 -0.1816 203DMSO SD 809 0.613 2.508 2.047 -0.1770 -0.1717 -0.5288 203DMSO CD1 810 0.537 2.641 1.927 -0.1501 0.2539 -0.0802 203DMSO OD 811 0.523 2.385 2.034 -0.1143 -0.2151 -0.5655 203DMSO CD2 812 0.783 2.488 1.953 0.5404 0.5641 0.5760 204DMSO SD 813 1.037 0.098 2.608 0.3241 -0.2840 -0.2910 204DMSO CD1 814 1.140 0.139 2.768 0.0354 -0.5712 -0.0290 204DMSO OD 815 0.894 0.060 2.647 0.1065 0.2757 -0.5254 204DMSO CD2 816 1.027 0.284 2.550 -0.6331 -0.3315 -0.3341 205DMSO SD 817 0.396 0.367 0.319 -0.2819 -0.1180 -0.0154 205DMSO CD1 818 0.276 0.281 0.446 0.0777 0.1885 0.5338 205DMSO OD 819 0.303 0.473 0.261 -0.6565 -0.1986 0.4438 205DMSO CD2 820 0.517 0.439 0.453 0.2228 -0.5648 -0.2129 206DMSO SD 821 0.816 1.213 1.124 -0.4610 0.0448 0.0922 206DMSO CD1 822 0.766 1.082 0.988 -0.2183 0.0845 -0.0384 206DMSO OD 823 0.950 1.149 1.159 -0.0710 0.6546 -0.2924 206DMSO CD2 824 0.837 1.363 1.001 0.5192 0.0666 0.2725 207DMSO SD 825 1.541 2.288 1.281 0.1023 0.1094 0.0821 207DMSO CD1 826 1.483 2.469 1.325 -0.1763 0.1235 -0.3533 207DMSO OD 827 1.659 2.317 1.187 0.2348 -0.3310 0.1077 207DMSO CD2 828 1.602 2.207 1.447 -0.1681 0.0018 0.1306 208DMSO SD 829 1.691 2.239 0.183 -0.4203 -0.0751 0.3402 208DMSO CD1 830 1.648 2.274 -0.004 0.1103 0.0923 0.2410 208DMSO OD 831 1.653 2.094 0.216 0.0492 -0.2086 0.2908 208DMSO CD2 832 1.881 2.242 0.139 -0.6149 0.8721 -0.4796 2.89162 2.89162 2.89162