0 mol 27 unq 0 iso 0 dist 9.62305 6.25033 7.60283 14.7633 7.50515 9.52474 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55469 10.4636 8.71468 13.5382 6.75888 7.21955 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.99959 6.10173 8.71468 8.52969 6.75888 7.21955 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.57393 7.26324 9.0008 10.7756 13.2018 9.49144 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 6.04885 10.2724 9.0008 16.777 13.2018 9.49144 numMergedOcc 0
5 mol 146 unq 0 iso 0 dist 8.48719 7.70916 9.44952 14.6591 14.7359 8.84535 numMergedOcc 0
6 mol 146 unq 1 iso 0 dist 8.48719 7.70916 9.44952 12.5232 7.00857 8.82188 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 4.7785 6.57631 8.73468 10.5375 10.2478 9.91993 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 4.7785 6.57631 8.73468 9.7168 6.84291 9.99156 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 4.7785 8.40891 9.73927 10.5375 10.2478 6.22055 numMergedOcc 0
10 mol 148 unq 3 iso 0 dist 4.7785 8.40891 9.73927 9.7168 6.84291 8.18085 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 4.79493 6.56068 8.73558 10.4957 10.2318 9.96691 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 4.79493 6.56068 8.73558 9.61132 6.79619 9.8656 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 4.79493 8.32178 9.66129 10.4957 10.2318 6.14675 numMergedOcc 0
14 mol 150 unq 3 iso 0 dist 4.79493 8.32178 9.66129 9.61132 6.79619 7.94889 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.89595 11.7605 5.81122 7.80643 7.29758 9.44367 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 9.89595 11.7605 5.81122 12.2418 8.67156 7.90267 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 9.41487 4.87811 5.9032 11.8267 4.57561 8.4858 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.80155 7.48749 7.60254 10.12 8.67522 7.44629 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 8.15486 5.76622 7.33225 9.05666 5.71262 8.77999 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 5.61473 9.50998 8.1931 13.9098 8.77858 9.83827 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 8.7483 4.45459 7.17337 12.2423 8.78722 8.50102 numMergedOcc 0
22 mol 232 unq 1 iso 0 dist 8.7483 4.45459 7.17337 13.2864 13.5597 9.40808 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.3853 10.0472 8.90076 7.2527 5.11565 7.57812 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.3853 10.0472 8.90076 7.13194 11.0401 9.24557 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 5.3853 10.0651 6.62002 7.2527 5.11565 8.69104 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 8.62569 9.62076 5.91213 12.0293 5.12409 5.93616 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 9.39803 10.6962 5.81266 16.0462 6.78222 8.98576 numMergedOcc 0
28 mol 271 unq 1 iso 0 dist 9.39803 10.6962 5.81266 14.1647 6.20098 8.92636 numMergedOcc 0
