0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 8.41008 12.4427 8.23292 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.3722 6.34748 9.05547 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.97292 7.2878 6.85766 5.8166 6.34748 9.05547 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 6.85083 7.35881 7.17396 12.7067 8.94845 6.46655 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 7.69019 5.89221 8.96624 7.1612 5.95767 8.31793 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 15.3481 13.018 9.40559 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 9.52282 6.89762 9.57498 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.26343 13.666 6.45675 10.1666 6.89762 9.57498 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 5.66196 5.24877 9.24515 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.38646 6.5815 8.62381 4.81596 6.06241 9.63302 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 12.7081 10.345 6.65963 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 9.79448 6.02237 9.30299 13.4733 11.0785 7.73139 numMergedOcc 0
12 mol 127 unq 2 iso 0 dist 9.79448 6.02237 9.30299 9.57623 8.89539 6.66607 numMergedOcc 0
13 mol 127 unq 3 iso 0 dist 9.79448 6.02237 9.30299 12.7081 10.345 8.62711 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 12.6989 6.3915 5.30872 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 6.5782 6.43506 7.83781 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.7479 13.7028 6.6776 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.04318 8.09861 5.6234 14.7479 10.4662 6.6776 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 7.03216 9.72559 9.36307 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 11.7599 9.72559 9.36307 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.03567 8.339 7.54065 9.55721 6.8549 7.45401 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.03567 12.2966 8.87694 14.5876 8.03427 6.86297 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 16.0463 11.5481 6.53736 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 7.19917 9.55205 6.18308 15.5339 8.72811 8.18851 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 11.0559 10.6943 8.9077 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 11.7937 9.97859 8.69148 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 9.04337 6.3873 7.98022 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 12.6972 6.3873 7.98022 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 9.99011 6.39319 5.30976 numMergedOcc 0
