0 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 8.3311 7.17698 10.7047 5.79134 8.80956 7.50293 5.66646 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.96306 5.73067 7.46414 8.3311 7.17698 10.7047 5.48241 12.4417 9.91611 9.40186 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 7.96306 5.73067 7.46414 5.96514 4.74069 7.26639 5.79134 8.80956 7.50293 4.40004 numMergedOcc 0
3 mol 38 unq 3 iso 0 dist 7.96306 5.73067 7.46414 5.96514 4.74069 7.26639 5.48241 12.4417 9.91611 8.68364 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 7.23303 7.73836 11.1952 13.6102 18.5377 9.0709 13.0123 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.41952 9.55751 8.94845 10.4376 7.80026 12.4823 5.85228 6.46655 7.17396 6.08003 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 10.3685 7.50921 12.595 4.93292 8.21553 7.38797 10.9021 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 9.85206 7.50921 12.595 6.53623 8.21553 7.38797 10.9021 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 9.63308 9.31543 6.69691 14.5776 10.1938 8.54584 8.26896 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 9.05571 8.85652 5.51197 14.5776 10.1938 8.54584 12.1739 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 6.96644 6.75579 6.52816 4.6995 9.82156 6.03031 9.49403 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 6.96644 6.75579 6.52816 10.7091 10.4618 7.26832 13.514 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 7.97183 5.96555 4.25942 6.96644 6.75579 6.52816 5.87892 9.3629 7.80463 3.56269 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.24066 7.46434 7.87385 4.86668 8.68934 8.84746 13.0285 15.1742 8.41436 16.268 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 9.24066 7.46434 7.87385 4.86668 8.68934 8.84746 13.9912 16.4929 8.92474 15.0244 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 6.25665 6.5311 12.269 10.3859 15.3066 6.57393 15.8064 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.29888 9.13537 9.76195 16.4705 9.67281 13.9551 10.3859 15.3066 6.57393 20.1157 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 11.7204 9.6327 15.8864 6.48867 14.0712 6.60405 17.0532 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 11.7204 9.6327 15.8864 7.52881 8.81059 6.42289 13.987 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.49348 8.40328 5.85442 15.3806 13.6279 7.46176 10.067 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 5.13138 8.2518 6.95511 15.3806 13.6279 7.46176 11.6988 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 3.7218 5.38409 6.44147 5.26991 8.82094 8.48753 5.12237 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.2421 9.91103 8.9682 10.8075 8.35794 9.7748 17.6038 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 10.9521 7.0603 6.92711 10.8075 8.35794 9.7748 14.772 numMergedOcc 0
