0 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 7.36018 5.83039 5.43306 10.4817 5.38458 9.17615 10.7794 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.9944 7.36018 5.83039 6.55811 4.58685 5.43306 10.4817 5.38458 10.7794 9.17615 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 6.55811 4.58685 8.48677 9.06304 6.17866 10.4817 5.38458 9.17615 14.2535 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 7.9944 8.48677 9.06304 6.55811 4.58685 6.17866 10.4817 5.38458 14.2535 9.17615 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 8.48677 9.06304 4.41171 10.4817 5.38458 10.7794 14.2535 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 7.9944 8.48677 9.06304 7.36018 5.83039 4.41171 10.4817 5.38458 14.2535 10.7794 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.032 8.64915 4.58685 8.17347 5.83039 5.43306 7.51034 5.38458 9.17615 10.7794 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 7.032 8.17347 5.83039 8.64915 4.58685 5.43306 7.51034 5.38458 10.7794 9.17615 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 7.83133 9.193 11.3401 7.51034 5.38458 9.17615 11.6139 numMergedOcc 0
9 mol 9 unq 3 iso 1 dist 7.032 7.83133 9.193 8.64915 4.58685 11.3401 7.51034 5.38458 11.6139 9.17615 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 7.032 8.17347 5.83039 7.83133 9.193 6.8386 7.51034 5.38458 10.7794 11.6139 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 7.032 7.83133 9.193 8.17347 5.83039 6.8386 7.51034 5.38458 11.6139 10.7794 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 8.44664 7.6844 14.1496 11.2106 9.40479 4.90592 16.1638 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 6.72502 8.44664 7.6844 8.60554 6.99746 14.1496 11.2106 9.40479 16.1638 4.90592 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 8.44664 7.6844 14.1496 5.97304 9.38831 9.36461 11.9865 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 6.72502 8.44664 7.6844 8.60554 6.99746 14.1496 5.97304 9.38831 11.9865 9.36461 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 9.44691 7.05541 9.62033 11.2106 9.40479 4.90592 8.16324 numMergedOcc 0
17 mol 24 unq 2 iso 1 dist 6.72502 9.44691 7.05541 8.60554 6.99746 9.62033 11.2106 9.40479 8.16324 4.90592 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 9.44691 7.05541 9.62033 5.97304 9.38831 9.36461 14.4545 numMergedOcc 0
19 mol 24 unq 3 iso 1 dist 6.72502 9.44691 7.05541 8.60554 6.99746 9.62033 5.97304 9.38831 14.4545 9.36461 numMergedOcc 0
20 mol 24 unq 2 iso 0 dist 6.72502 8.44664 7.6844 9.44691 7.05541 10.4263 11.2106 9.40479 16.1638 8.16324 numMergedOcc 0
21 mol 24 unq 2 iso 1 dist 6.72502 9.44691 7.05541 8.44664 7.6844 10.4263 11.2106 9.40479 8.16324 16.1638 numMergedOcc 0
22 mol 24 unq 3 iso 0 dist 6.72502 8.44664 7.6844 9.44691 7.05541 10.4263 5.97304 9.38831 11.9865 14.4545 numMergedOcc 0
23 mol 24 unq 3 iso 1 dist 6.72502 9.44691 7.05541 8.44664 7.6844 10.4263 5.97304 9.38831 14.4545 11.9865 numMergedOcc 0
24 mol 24 unq 4 iso 0 dist 4.93188 8.70827 9.75636 6.73939 10.0715 15.0804 9.48345 9.40479 13.9848 11.5841 numMergedOcc 0
25 mol 24 unq 4 iso 1 dist 4.93188 6.73939 10.0715 8.70827 9.75636 15.0804 9.48345 9.40479 11.5841 13.9848 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 4.93188 8.70827 9.75636 6.73939 10.0715 15.0804 14.4162 9.58012 16.8872 18.2994 numMergedOcc 0
27 mol 24 unq 5 iso 1 dist 4.93188 6.73939 10.0715 8.70827 9.75636 15.0804 14.4162 9.58012 18.2994 16.8872 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 8.56342 6.52773 6.96805 9.23858 13.3975 12.3703 3.78311 8.03035 8.8562 7.91683 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 8.56342 9.23858 13.3975 6.52773 6.96805 12.3703 3.78311 8.03035 7.91683 8.8562 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 6.37542 6.52773 4.86811 9.23858 8.00229 12.3703 3.78311 7.6968 8.8562 7.91683 numMergedOcc 0
31 mol 119 unq 1 iso 1 dist 6.37542 9.23858 8.00229 6.52773 4.86811 12.3703 3.78311 7.6968 7.91683 8.8562 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 15.7796 7.76594 15.3401 18.9021 numMergedOcc 0
33 mol 131 unq 0 iso 1 dist 9.29384 9.25558 11.2516 8.70296 10.8127 14.5627 15.7796 7.76594 18.9021 15.3401 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.91301 15.0315 4.30566 10.8441 5.73236 17.8758 17.012 numMergedOcc 0
35 mol 143 unq 0 iso 1 dist 8.41611 8.91301 15.0315 7.78652 15.0801 4.30566 10.8441 5.73236 17.012 17.8758 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 8.61587 12.8796 6.12113 5.82636 4.9941 10.6589 13.5954 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 7.73169 8.61587 12.8796 7.30357 8.40261 6.12113 5.82636 4.9941 13.5954 10.6589 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 5.38091 7.30357 12.4049 8.61587 11.7015 6.12113 6.44255 5.90883 13.0899 14.9434 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 5.38091 8.61587 11.7015 7.30357 12.4049 6.12113 6.44255 5.90883 14.9434 13.0899 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 5.38091 7.30357 12.4049 8.61587 11.7015 6.12113 5.82636 8.06913 10.6589 13.5954 numMergedOcc 0
41 mol 156 unq 2 iso 1 dist 5.38091 8.61587 11.7015 7.30357 12.4049 6.12113 5.82636 8.06913 13.5954 10.6589 numMergedOcc 0
42 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 4.44751 7.82546 7.32555 10.3097 numMergedOcc 0
43 mol 171 unq 0 iso 1 dist 7.71426 8.1344 5.90358 5.93786 6.29877 3.98338 4.44751 7.82546 10.3097 7.32555 numMergedOcc 0
44 mol 171 unq 1 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 9.61561 7.82546 7.32555 10.3097 numMergedOcc 0
45 mol 171 unq 1 iso 1 dist 5.10618 6.71356 5.90358 8.24693 6.29877 3.98338 9.61561 7.82546 10.3097 7.32555 numMergedOcc 0
46 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 13.0333 5.52678 17.8402 12.6186 numMergedOcc 0
47 mol 194 unq 0 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 13.0333 5.52678 12.6186 17.8402 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 18.6469 9.81666 20.7484 15.8032 numMergedOcc 0
49 mol 194 unq 1 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 18.6469 9.81666 15.8032 20.7484 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.41321 4.59123 11.362 11.0628 9.56257 14.3567 12.135 numMergedOcc 0
51 mol 227 unq 0 iso 1 dist 8.03442 5.41321 4.59123 7.43071 12.8075 11.362 11.0628 9.56257 12.135 14.3567 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 10.7508 9.89583 14.4327 18.559 numMergedOcc 0
53 mol 238 unq 0 iso 1 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 10.7508 9.89583 18.559 14.4327 numMergedOcc 0
