0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 5.7531 7.12263 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 11.0223 5.00267 9.94625 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.3915 8.53529 5.65816 8.79272 7.12263 7.27018 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 6.32152 5.00267 9.94625 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.119 5.55437 10.7921 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 11.0722 5.55437 8.076 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.9944 6.55811 4.58685 10.4817 5.38458 9.17615 numMergedOcc 0
7 mol 9 unq 3 iso 0 dist 7.9944 7.36018 5.83039 10.4817 5.38458 10.7794 numMergedOcc 0
8 mol 9 unq 4 iso 0 dist 7.9944 8.48677 9.06304 10.4817 5.38458 14.2535 numMergedOcc 0
9 mol 9 unq 5 iso 0 dist 7.032 8.64915 4.58685 7.51034 5.38458 9.17615 numMergedOcc 0
10 mol 9 unq 6 iso 0 dist 7.032 8.17347 5.83039 7.51034 5.38458 10.7794 numMergedOcc 0
11 mol 9 unq 7 iso 0 dist 7.032 7.83133 9.193 7.51034 5.38458 11.6139 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.3648 7.69625 17.0794 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 6.72502 8.44664 7.6844 11.2106 9.40479 16.1638 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 6.72502 8.44664 7.6844 5.97304 9.38831 11.9865 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 11.2106 9.40479 8.16324 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 5.97304 9.38831 14.4545 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 4.93188 8.70827 9.75636 9.48345 9.40479 13.9848 numMergedOcc 0
21 mol 24 unq 8 iso 0 dist 4.93188 8.70827 9.75636 14.4162 9.58012 16.8872 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 numMergedOcc 0
23 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 numMergedOcc 0
24 mol 24 unq 11 iso 0 dist 9.24958 9.12854 9.75636 13.1456 9.40479 13.9848 numMergedOcc 0
25 mol 24 unq 12 iso 0 dist 9.24958 9.12854 9.75636 10.0655 9.58012 16.8872 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.1157 8.03028 12.8873 numMergedOcc 0
27 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 7.23437 7.39754 8.29345 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 10.7735 7.63183 15.0563 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 5.74854 7.5242 8.53212 13.1711 7.63183 15.0563 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.99056 8.03035 8.8562 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 3.78311 8.03035 8.8562 numMergedOcc 0
32 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 3.78311 8.03035 7.91683 numMergedOcc 0
33 mol 119 unq 3 iso 0 dist 6.37542 6.52773 4.86811 3.78311 7.6968 8.8562 numMergedOcc 0
34 mol 119 unq 4 iso 0 dist 6.37542 9.23858 8.00229 3.78311 7.6968 7.91683 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 15.7796 7.76594 15.3401 numMergedOcc 0
36 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 15.7796 7.76594 18.9021 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 10.8441 5.73236 17.8758 numMergedOcc 0
39 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 10.8441 5.73236 17.012 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.82636 4.9941 10.6589 numMergedOcc 0
41 mol 156 unq 1 iso 0 dist 7.73169 8.61587 12.8796 5.82636 4.9941 13.5954 numMergedOcc 0
42 mol 156 unq 2 iso 0 dist 5.38091 7.30357 12.4049 6.44255 5.90883 13.0899 numMergedOcc 0
43 mol 156 unq 3 iso 0 dist 5.38091 7.30357 12.4049 5.82636 8.06913 10.6589 numMergedOcc 0
44 mol 156 unq 4 iso 0 dist 5.38091 8.61587 11.7015 6.44255 5.90883 14.9434 numMergedOcc 0
45 mol 156 unq 5 iso 0 dist 5.38091 8.61587 11.7015 5.82636 8.06913 13.5954 numMergedOcc 0
46 mol 163 unq 0 iso 0 dist 8.5043 9.69121 4.12188 3.89889 8.23605 7.8639 numMergedOcc 0
47 mol 163 unq 1 iso 0 dist 8.38738 9.07943 8.55624 6.94217 7.3546 13.1233 numMergedOcc 0
48 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 numMergedOcc 0
49 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 4.44751 7.82546 10.3097 numMergedOcc 0
50 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 numMergedOcc 0
51 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 9.61561 7.82546 10.3097 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 4.24624 7.32419 9.71028 numMergedOcc 0
53 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 4.24624 8.31961 9.71028 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 8.12143 7.23293 12.1418 numMergedOcc 0
55 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 12.7155 7.55358 17.9524 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 7.20574 8.73217 11.8992 11.2142 8.87818 17.7762 numMergedOcc 0
57 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 6.66155 5.52678 6.37788 numMergedOcc 0
58 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 5.4499 9.81666 8.7028 numMergedOcc 0
59 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 13.0333 5.52678 17.8402 numMergedOcc 0
60 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 18.6469 9.81666 20.7484 numMergedOcc 0
61 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 13.0333 5.52678 12.6186 numMergedOcc 0
62 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 18.6469 9.81666 15.8032 numMergedOcc 0
63 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 11.0628 9.56257 14.3567 numMergedOcc 0
64 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 11.0628 9.56257 12.135 numMergedOcc 0
65 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.72331 9.81305 10.5789 numMergedOcc 0
66 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 8.33772 6.89118 10.4925 numMergedOcc 0
67 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 9.59927 7.31113 6.11495 numMergedOcc 0
68 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 10.7975 8.10263 11.4891 numMergedOcc 0
69 mol 237 unq 2 iso 0 dist 6.50471 9.60163 6.12402 5.63225 6.45845 11.7571 numMergedOcc 0
70 mol 237 unq 3 iso 0 dist 6.50471 9.60163 6.12402 5.12181 9.53139 9.36216 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 10.7508 9.89583 14.4327 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 10.7508 9.89583 18.559 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 7.32982 9.24557 4.77308 10.7551 9.89583 14.4327 numMergedOcc 0
74 mol 238 unq 3 iso 0 dist 5.52379 7.10685 5.83386 14.1055 9.89583 12.8056 numMergedOcc 0
75 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 10.6074 9.53915 16.0268 numMergedOcc 0
76 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 6.6525 6.47194 12.3072 numMergedOcc 0
