0 mol 7 unq 0 iso 0 dist 9.96415 7.15287 5.99459 6.22892 6.88805 8.41585 14.4257 7.00508 7.78327 13.5229 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 8.80956 4.40004 7.50293 11.0959 8.71152 8.83233 7.63536 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 4.74069 7.46414 7.26639 12.4417 8.68364 9.91611 11.0959 8.71152 8.83233 4.04384 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 12.5246 5.77163 7.4785 4.25144 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 18.3747 11.7295 8.34191 8.44881 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 12.5246 5.77163 6.39747 4.25144 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 4.8983 10.0644 7.37171 15.1432 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 4.8983 12.1501 7.37171 15.1432 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.76849 14.7449 7.80898 15.7759 12.1193 9.36773 18.0285 9.11654 9.07128 10.8406 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 9.76849 14.7449 7.80898 15.7759 12.1193 9.36773 17.1655 10.8983 6.65615 4.47193 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 4.4077 9.74071 7.97548 12.5321 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 8.4874 6.92699 9.64164 11.3755 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 4.4077 9.87781 7.97548 12.5321 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 8.4874 9.93375 9.64164 11.3755 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 17.544 12.9631 7.7059 13.0474 6.96373 5.77186 6.85721 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 18.95 14.4074 8.99891 9.14188 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 6.68265 5.12696 7.55934 9.73449 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 7.78842 5.12696 7.55934 9.73449 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 6.68265 6.04238 7.55934 9.73449 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 17.8667 11.4645 8.29467 6.13927 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 17.8667 11.4645 8.29467 13.2274 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 4.1545 5.9732 4.9764 11.8607 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 4.25172 8.61922 6.36559 10.9137 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 4.1545 3.79766 4.9764 11.8607 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 4.25172 7.07613 6.36559 10.9137 numMergedOcc 0
