0 mol 26 unq 0 iso 0 dist 8.8533 8.69142 5.30297 14.1116 7.61055 7.3022 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.87744 8.43523 5.30297 6.23975 7.61055 7.3022 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.40398 5.71014 6.0015 10.1033 8.58568 13.5247 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.8717 7.66913 12.5406 10.8155 9.36424 15.0507 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.94459 8.44761 13.7484 9.67231 8.80104 12.3403 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 5.94459 6.81124 11.9362 9.67231 8.80104 12.9585 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.82052 5.20528 9.16969 5.84688 8.87194 10.0297 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.9819 8.65004 5.91698 10.4394 7.82011 13.5414 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 5.9819 9.86487 15.0784 10.4394 7.82011 17.8039 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 8.83011 4.89256 4.68499 5.21787 9.89462 6.98158 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.36312 7.35647 6.85776 9.17181 7.62145 6.90634 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 4.83039 6.4477 6.00811 5.57852 8.1069 9.85845 numMergedOcc 0
12 mol 146 unq 1 iso 0 dist 4.83039 6.4477 6.00811 11.4615 8.68349 9.44952 numMergedOcc 0
13 mol 146 unq 2 iso 0 dist 4.83039 9.77433 6.38084 5.57852 8.1069 14.2642 numMergedOcc 0
14 mol 146 unq 3 iso 0 dist 4.83039 9.77433 6.38084 11.4615 8.68349 13.1989 numMergedOcc 0
15 mol 146 unq 4 iso 0 dist 5.38829 8.73563 7.20408 4.75435 8.1069 12.6446 numMergedOcc 0
16 mol 146 unq 5 iso 0 dist 5.38829 8.73563 7.20408 6.21982 8.68349 6.50043 numMergedOcc 0
17 mol 146 unq 6 iso 0 dist 5.38829 7.92203 6.00811 4.75435 8.1069 9.85845 numMergedOcc 0
18 mol 146 unq 7 iso 0 dist 5.38829 7.92203 6.00811 6.21982 8.68349 9.44952 numMergedOcc 0
19 mol 146 unq 8 iso 0 dist 7.498 9.64915 7.20408 10.1016 8.1069 12.6446 numMergedOcc 0
20 mol 146 unq 9 iso 0 dist 7.498 9.64915 7.20408 5.91626 8.68349 6.50043 numMergedOcc 0
21 mol 146 unq 10 iso 0 dist 7.498 6.75663 7.59769 10.1016 8.1069 13.7892 numMergedOcc 0
22 mol 146 unq 11 iso 0 dist 7.498 6.75663 7.59769 5.91626 8.68349 11.0556 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 6.03116 8.85675 10.4731 10.4329 7.53158 17.5562 numMergedOcc 0
24 mol 154 unq 1 iso 0 dist 6.03116 8.85675 10.4731 7.55279 7.43407 15.1038 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 6.59729 8.34668 6.71237 4.34714 9.59034 9.84492 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 6.59729 8.76308 5.91678 4.34714 9.59034 11.6006 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 8.22643 5.0778 6.74112 14.4982 9.79691 15.1755 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 5.33789 6.73371 9.86517 11.3414 8.15936 16.7877 numMergedOcc 0
29 mol 198 unq 1 iso 0 dist 5.33789 6.73371 9.86517 11.6406 8.16598 15.2254 numMergedOcc 0
30 mol 230 unq 0 iso 0 dist 6.47064 5.75445 6.0456 10.353 8.85215 13.7635 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.5826 8.85202 6.84212 6.3161 9.42618 8.81629 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.5826 6.97527 4.77308 6.3161 9.42618 6.87131 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 5.46783 4.98994 8.23234 12.0688 8.33853 15.8964 numMergedOcc 0
34 mol 240 unq 1 iso 0 dist 5.46783 4.98994 8.23234 5.53988 5.66537 10.2599 numMergedOcc 0
35 mol 278 unq 0 iso 0 dist 9.06043 6.9592 15.1214 5.38386 9.80746 11.3284 numMergedOcc 0
36 mol 278 unq 1 iso 0 dist 9.06043 6.9592 15.1214 7.70648 9.48589 12.2665 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 8.79958 6.53769 9.97867 8.84794 8.27054 13.8882 numMergedOcc 0
