0 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 9.87281 5.64303 7.31767 12.3312 10.8122 7.6114 6.10919 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05148 6.17631 8.6653 7.63928 5.82503 6.03987 12.3312 10.8122 7.6114 5.86705 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.05148 5.59268 7.92503 10.5993 6.11127 7.57578 8.27137 11.0175 4.79873 10.2864 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 7.05148 5.59268 7.92503 10.5993 6.11127 7.57578 13.4236 10.2758 9.48085 5.18617 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 7.05148 5.59268 7.92503 8.88413 5.30154 7.17969 8.27137 11.0175 4.79873 11.4148 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 7.05148 5.59268 7.92503 8.88413 5.30154 7.17969 13.4236 10.2758 9.48085 5.68041 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.85981 10.8619 7.16773 15.2938 6.63327 8.66265 16.9186 9.76482 9.03564 6.75591 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 12.0576 15.7954 8.27883 4.99174 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 10.4457 10.4348 5.75428 4.46005 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 9.70292 5.88327 8.57395 8.28518 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 9.59704 3.96826 9.85409 15.917 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 12.0576 15.7954 8.27883 8.67311 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 10.4457 10.4348 5.75428 3.94293 numMergedOcc 0
13 mol 95 unq 6 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 9.70292 5.88327 8.57395 9.22202 numMergedOcc 0
14 mol 95 unq 7 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 9.59704 3.96826 9.85409 13.7484 numMergedOcc 0
15 mol 95 unq 8 iso 0 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 12.0576 15.7954 8.27883 15.6249 numMergedOcc 0
16 mol 95 unq 9 iso 0 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 10.4457 10.4348 5.75428 12.4896 numMergedOcc 0
17 mol 95 unq 10 iso 0 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 9.70292 5.88327 8.57395 14.2178 numMergedOcc 0
18 mol 95 unq 11 iso 0 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 9.59704 3.96826 9.85409 8.78079 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 12.3884 7.06961 5.08437 9.58039 3.94967 5.10496 3.9764 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 12.3884 7.06961 6.10456 5.08983 3.92737 7.54889 10.4782 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.94696 7.1452 4.47349 12.3884 7.06961 6.10456 9.58039 3.94967 5.2571 3.9764 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 5.37302 14.0364 9.66219 10.783 8.42718 5.86073 6.12348 3.84573 8.80934 5.70579 numMergedOcc 0
23 mol 113 unq 1 iso 0 dist 9.66068 16.3524 8.8822 15.1632 10.1816 5.86073 9.58604 7.1951 8.80934 5.70579 numMergedOcc 0
24 mol 113 unq 2 iso 0 dist 8.03783 16.3524 9.66219 15.1632 8.42718 5.86073 9.58604 3.84573 8.80934 5.70579 numMergedOcc 0
25 mol 113 unq 3 iso 0 dist 8.47541 12.1308 9.66219 11.0486 8.42718 5.86073 7.2672 3.84573 8.80934 5.70579 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.6561 5.27217 7.71248 10.3751 4.34568 7.24514 11.9968 8.88402 8.26547 5.03174 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 8.6561 5.27217 7.71248 13.2491 10.6025 8.22656 11.9968 8.88402 8.26547 4.88025 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 9.14629 7.91498 9.67741 16.5098 13.0123 9.87651 11.1687 5.43662 7.20495 7.87971 numMergedOcc 0
29 mol 167 unq 1 iso 0 dist 9.14629 7.91498 9.67741 16.5098 13.0123 9.87651 8.77904 8.91275 9.2289 12.0033 numMergedOcc 0
30 mol 167 unq 2 iso 0 dist 9.14629 7.91498 9.67741 16.5098 13.0123 9.87651 6.48993 5.95858 7.02548 11.6011 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 14.9107 7.67571 7.10633 22.2924 14.0756 7.9133 10.7169 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 8.62191 18.2283 9.68728 18.4353 10.8573 8.51516 22.2924 14.0756 7.9133 5.57347 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 13.2374 9.13652 9.61492 10.867 9.86388 6.49765 10.6504 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 5.86419 4.78067 4.8668 9.34594 5.8535 7.45763 10.867 9.86388 6.49765 8.67921 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 7.23557 4.2475 4.8668 13.2057 9.13652 9.61492 6.41148 9.86388 6.49765 10.6504 numMergedOcc 0
36 mol 205 unq 3 iso 0 dist 7.23557 4.2475 4.8668 6.752 5.8535 7.45763 6.41148 9.86388 6.49765 8.67921 numMergedOcc 0
37 mol 205 unq 4 iso 0 dist 8.86587 6.8901 4.8668 13.3164 9.13652 9.61492 5.06713 9.86388 6.49765 10.6504 numMergedOcc 0
38 mol 205 unq 5 iso 0 dist 8.86587 6.8901 4.8668 5.4913 5.8535 7.45763 5.06713 9.86388 6.49765 8.67921 numMergedOcc 0
39 mol 223 unq 0 iso 0 dist 7.81769 8.78003 7.48463 16.8669 11.8654 8.77153 14.1948 10.5752 6.42257 4.04036 numMergedOcc 0
40 mol 223 unq 1 iso 0 dist 7.81769 8.78003 7.48463 16.8669 11.8654 8.77153 9.6936 3.86668 9.33543 13.1538 numMergedOcc 0
41 mol 223 unq 2 iso 0 dist 7.81769 8.78003 7.48463 13.1127 6.05524 8.6166 14.1948 10.5752 6.42257 9.47076 numMergedOcc 0
42 mol 223 unq 3 iso 0 dist 7.81769 8.78003 7.48463 13.1127 6.05524 8.6166 9.6936 3.86668 9.33543 5.39728 numMergedOcc 0
43 mol 223 unq 4 iso 0 dist 7.66694 5.33327 7.48463 13.9834 11.8654 8.77153 11.4037 10.5752 6.42257 4.04036 numMergedOcc 0
44 mol 223 unq 5 iso 0 dist 7.66694 5.33327 7.48463 13.9834 11.8654 8.77153 9.36733 3.86668 9.33543 13.1538 numMergedOcc 0
45 mol 223 unq 6 iso 0 dist 7.66694 5.33327 7.48463 11.478 6.05524 8.6166 11.4037 10.5752 6.42257 9.47076 numMergedOcc 0
46 mol 223 unq 7 iso 0 dist 7.66694 5.33327 7.48463 11.478 6.05524 8.6166 9.36733 3.86668 9.33543 5.39728 numMergedOcc 0
47 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 9.29752 8.80479 8.27212 12.6048 11.2243 6.71524 5.10213 numMergedOcc 0
