0 mol 15 unq 0 iso 0 dist 8.0637 4.98085 5.19544 7.38118 5.70754 5.69755 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.85282 8.98132 8.67162 4.85685 6.35779 4.32751 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 4.85282 8.5169 8.79114 4.85685 6.35779 4.83294 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 5.8409 9.08675 9.4486 7.4829 8.48827 4.35598 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 5.8409 9.08675 9.4486 8.47947 7.14048 5.50339 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.79535 4.90318 6.85867 13.8801 8.56269 9.33803 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 9.79535 4.90318 6.85867 7.19267 9.40699 5.46401 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.31509 6.1745 9.25249 5.90092 9.68556 3.61204 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.49806 6.1745 8.41411 5.90092 8.73928 3.61204 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.28645 5.95402 5.37302 6.39939 7.08403 3.52111 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.94007 14.4222 9.41073 5.76262 8.76449 10.1443 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 8.94007 14.4222 9.41073 4.09924 8.36182 11.2502 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.57161 6.08318 5.51388 6.55092 7.33643 3.83687 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.7195 5.70195 6.80086 4.71092 7.06555 3.72812 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 8.30819 9.77016 6.80086 10.7165 7.06555 3.72812 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.65601 8.77427 9.54753 12.6752 6.91244 9.19793 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 8.65601 11.7122 8.79411 12.6752 6.91244 3.77126 numMergedOcc 0
17 mol 180 unq 2 iso 0 dist 6.33325 5.74154 9.54753 5.92014 6.91244 9.19793 numMergedOcc 0
18 mol 180 unq 3 iso 0 dist 6.33325 7.08508 8.79411 5.92014 6.91244 3.77126 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 5.07395 9.20716 9.26092 9.59663 9.49242 3.71145 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 5.07395 9.20716 9.26092 13.6676 9.25184 11.0674 numMergedOcc 0
21 mol 210 unq 2 iso 0 dist 9.35577 13.7915 9.26092 15.1177 9.49242 3.71145 numMergedOcc 0
22 mol 210 unq 3 iso 0 dist 9.35577 13.7915 9.26092 17.233 9.25184 11.0674 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 6.17749 6.11074 5.89818 4.73685 4.90656 3.98604 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 6.17749 6.22277 9.32543 4.73685 4.90656 7.99695 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.15743 14.8728 9.41148 9.67326 9.67243 9.85068 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 8.15743 4.03628 7.83422 9.67326 9.67243 12.3471 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 7.77279 4.71534 9.34735 8.52094 8.71119 6.06804 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 7.77279 4.71534 9.34735 5.00156 6.21648 8.66074 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 4.76689 4.48112 5.68717 5.30931 7.88108 3.60349 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 4.76689 4.48112 5.68717 7.91474 9.46576 7.28821 numMergedOcc 0
31 mol 260 unq 2 iso 0 dist 8.79012 5.72956 5.68717 8.90225 7.88108 3.60349 numMergedOcc 0
32 mol 260 unq 3 iso 0 dist 8.79012 5.72956 5.68717 4.38276 9.46576 7.28821 numMergedOcc 0
