0 mol 68 unq 0 iso 0 dist 6.59983 10.0241 8.9303 12.2463 13.5622 6.36086 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.92579 10.0241 8.14654 12.2463 12.8986 6.36086 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 9.12636 13.8498 8.9303 14.5917 13.5622 6.36086 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.10397 5.77916 8.4705 12.1886 8.77492 7.01812 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.10397 5.77916 8.4705 13.6025 12.2171 8.30845 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 9.87572 13.9156 7.3542 20.2645 14.7158 9.01852 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.29634 4.01593 7.84768 8.44385 4.55137 9.11344 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.29634 4.01593 7.84768 5.63005 6.42493 6.52773 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.64841 13.1585 9.87021 15.3258 6.55924 9.91993 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 9.64841 13.1585 9.87021 19.6884 11.3247 9.99156 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 9.64841 12.5438 7.34023 15.3258 6.55924 6.22055 numMergedOcc 0
11 mol 148 unq 3 iso 0 dist 9.64841 12.5438 7.34023 19.6884 11.3247 8.18085 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.5865 13.166 9.96938 15.3303 6.62435 9.96691 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 9.5865 13.166 9.96938 19.5549 11.3177 9.8656 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 9.5865 12.5712 7.35268 15.3303 6.62435 6.14675 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 9.5865 12.5712 7.35268 19.5549 11.3177 7.94889 numMergedOcc 0
16 mol 151 unq 0 iso 0 dist 8.13302 11.8762 7.80544 14.0985 8.33083 5.93692 numMergedOcc 0
17 mol 151 unq 1 iso 0 dist 5.11555 12.3644 7.80544 13.3563 8.33083 5.93692 numMergedOcc 0
18 mol 151 unq 2 iso 0 dist 8.29457 9.40926 7.80544 13.1616 8.33083 5.93692 numMergedOcc 0
19 mol 151 unq 3 iso 0 dist 9.42062 11.8762 5.59982 14.0985 4.8553 5.93692 numMergedOcc 0
20 mol 151 unq 4 iso 0 dist 8.8107 12.3644 5.59982 13.3563 4.8553 5.93692 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.2747 4.47323 6.73995 9.87873 9.36244 6.64834 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.2747 4.47323 6.73995 10.2921 8.62666 5.93786 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 9.2747 4.47323 6.73995 11.2403 11.8746 8.24693 numMergedOcc 0
24 mol 171 unq 3 iso 0 dist 9.2747 4.47323 6.73995 9.80706 5.97455 7.36698 numMergedOcc 0
25 mol 171 unq 4 iso 0 dist 8.45343 4.47323 8.619 9.87873 10.4353 6.64834 numMergedOcc 0
26 mol 171 unq 5 iso 0 dist 8.45343 4.47323 8.619 10.2921 12.3741 5.93786 numMergedOcc 0
27 mol 171 unq 6 iso 0 dist 8.45343 4.47323 8.619 11.2403 16.3566 8.24693 numMergedOcc 0
28 mol 171 unq 7 iso 0 dist 8.45343 4.47323 8.619 9.80706 5.92577 7.36698 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 9.33272 5.18732 7.81069 11.5247 11.4746 7.76163 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 9.33272 5.18732 7.81069 9.44405 4.527 8.73217 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.33743 4.05539 5.77928 9.55777 8.6493 9.82371 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 7.11512 3.96327 7.3216 11.0518 7.33449 9.16003 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 5.68936 4.20164 6.72501 6.37672 5.40456 5.48118 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 5.68936 4.20164 6.72501 9.83485 7.02235 7.25858 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 9.23149 7.31058 9.80236 9.6898 5.56576 7.83341 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 9.61379 8.07013 9.80236 5.75596 5.56576 7.83341 numMergedOcc 0
37 mol 292 unq 2 iso 0 dist 8.25719 8.46139 8.22213 7.53641 9.6563 7.07965 numMergedOcc 0
