0 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 12.9126 8.26899 18.0433 5.99959 6.75888 9.95096 8.80108 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 7.15486 10.6169 12.9126 8.26899 13.7148 5.99959 6.75888 5.11205 8.80108 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 9.55542 6.71911 9.84864 10.0237 5.3525 6.7583 6.5096 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.2394 8.71128 7.52743 9.91452 9.2907 5.33327 7.36816 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 6.06543 5.87387 5.59517 6.2394 7.52743 8.71128 9.91452 5.33327 9.2907 7.36816 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 6.70767 6.93652 11.8898 9.82638 7.57216 12.6352 6.2135 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 5.58352 8.47155 9.36805 9.89595 9.30783 7.29758 6.90155 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 7.80643 7.39961 5.76755 5.58352 9.36805 8.47155 9.89595 7.29758 9.30783 6.90155 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 14.6248 9.31887 12.816 14.6406 8.22779 10.5631 4.79852 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.25528 6.96824 11.9017 14.3955 6.94688 15.7174 11.1948 8.25067 8.93318 8.20656 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 15.6271 6.71012 16.3976 11.1948 8.25067 8.93318 9.40622 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 9.06306 9.40939 11.2306 6.32328 8.45368 14.581 7.67499 11.1059 11.2214 8.74171 numMergedOcc 0
12 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 12.9129 9.59129 13.8919 14.2318 12.2579 13.2686 8.74171 numMergedOcc 0
13 mol 213 unq 2 iso 0 dist 6.77104 8.10356 11.3915 9.7466 6.68292 11.9811 13.8034 11.1063 10.5742 8.74171 numMergedOcc 0
14 mol 213 unq 3 iso 0 dist 6.77104 8.10356 11.3915 9.7466 6.68292 11.9811 6.91442 4.93472 7.28105 6.85195 numMergedOcc 0
15 mol 213 unq 4 iso 0 dist 6.77104 8.10356 11.3915 5.52154 4.26212 10.7798 6.91442 4.93472 7.28105 6.17451 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 6.48676 7.17547 7.13323 8.39955 4.54272 6.8949 8.57853 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 5.52981 6.22077 7.83217 6.48676 7.17547 7.13323 10.8284 10.2673 6.60235 6.75035 numMergedOcc 0
18 mol 218 unq 2 iso 0 dist 6.22077 5.52981 7.83217 6.48676 7.13323 7.17547 8.39955 6.8949 4.54272 8.57853 numMergedOcc 0
19 mol 218 unq 3 iso 0 dist 6.22077 5.52981 7.83217 6.48676 7.13323 7.17547 10.8284 6.60235 10.2673 6.75035 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.2527 7.13194 10.0191 14.0776 9.90142 10.7386 18.8002 15.7973 15.5674 8.70193 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.29203 7.62771 5.40359 11.091 9.90142 5.9216 12.1997 15.7973 10.438 8.70193 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.29203 7.80166 10.0191 11.091 9.90142 10.7386 12.1997 15.7973 15.5674 8.70193 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 7.62771 9.29203 5.40359 11.091 5.9216 9.90142 12.1997 10.438 15.7973 8.70193 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 7.62771 7.80166 10.1648 11.091 5.9216 10.7386 12.1997 10.438 15.5674 8.70193 numMergedOcc 0
