Ethane in implicit water 40 1MTN CAA 1 1.025 2.204 2.648 0.6702 -0.1397 -0.1769 1MTN CAB 2 1.043 2.083 2.556 -0.3583 -0.2582 -0.2409 2MTN CAA 3 0.937 1.879 0.072 0.1330 -0.2008 0.1367 2MTN CAB 4 0.928 2.030 0.095 0.1464 -0.0999 -0.5068 3MTN CAA 5 3.527 0.394 3.378 -0.8211 0.0224 -0.0207 3MTN CAB 6 3.453 0.298 3.472 0.2388 -0.2334 0.5620 4MTN CAA 7 2.861 2.418 1.857 -0.3657 0.1101 0.0548 4MTN CAB 8 2.941 2.293 1.894 0.0049 0.2779 -0.1721 5MTN CAA 9 0.693 1.450 1.346 -0.3543 0.8831 0.1278 5MTN CAB 10 0.821 1.526 1.381 -0.0064 0.1928 0.3874 6MTN CAA 11 1.551 2.114 3.118 -0.4862 0.1579 -0.3731 6MTN CAB 12 1.618 2.124 3.256 -0.6001 0.6870 -0.3543 7MTN CAA 13 0.999 1.771 1.016 0.0028 -0.0728 0.5188 7MTN CAB 14 0.945 1.904 1.068 -0.1642 0.2468 -0.4532 8MTN CAA 15 2.961 2.963 3.488 0.5638 0.0692 0.4087 8MTN CAB 16 2.947 3.062 3.372 0.3154 -0.5930 -0.1306 9MTN CAA 17 1.187 2.188 0.888 0.3285 1.0885 -0.9667 9MTN CAB 18 1.212 2.309 0.979 -0.5545 0.2913 0.3666 10MTN CAA 19 2.493 0.557 3.502 -0.0634 0.1991 -0.9521 10MTN CAB 20 2.612 0.468 3.464 -0.1684 -0.1370 -0.4870 11MTN CAA 21 1.541 1.219 1.631 0.0899 -0.0796 -0.2617 11MTN CAB 22 1.441 1.108 1.666 0.2538 0.0078 0.4979 12MTN CAA 23 1.714 0.144 0.061 0.7324 0.0542 -0.2979 12MTN CAB 24 1.681 0.260 -0.034 -0.2196 -0.0874 -0.1504 13MTN CAA 25 0.944 3.203 0.814 -0.0890 0.0532 0.5611 13MTN CAB 26 1.094 3.193 0.838 0.0695 0.5978 -0.1528 14MTN CAA 27 2.221 1.841 2.677 -1.1594 0.0090 -0.5228 14MTN CAB 28 2.146 1.709 2.690 -0.2578 -0.4176 0.4453 15MTN CAA 29 1.552 2.246 0.588 -0.2695 0.4880 0.5530 15MTN CAB 30 1.601 2.301 0.454 0.0369 -0.8268 0.1121 16MTN CAA 31 3.217 2.507 0.588 0.6028 0.0292 0.8539 16MTN CAB 32 3.069 2.538 0.614 0.4761 -0.0131 0.2172 17MTN CAA 33 2.681 2.572 2.348 0.3499 0.1717 0.0037 17MTN CAB 34 2.829 2.550 2.319 0.2072 -0.5211 -0.2145 18MTN CAA 35 2.639 2.441 1.087 -0.2504 -0.5795 0.0162 18MTN CAB 36 2.671 2.382 1.225 0.3845 -0.2490 0.0098 19MTN CAA 37 1.107 2.670 0.789 -0.3152 -0.5081 0.4469 19MTN CAB 38 1.061 2.759 0.674 0.2666 -0.5847 0.1515 20MTN CAA 39 1.550 1.362 3.197 0.6813 0.0530 0.0455 20MTN CAB 40 1.576 1.312 3.054 -0.0509 -0.0880 -0.0424 3.50000 3.50000 3.50000