0 mol 0 unq 0 iso 0 dist 9.42137 6.99594 10.3034 11.6896 9.6994 10.9812 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 6.99594 10.3034 14.5258 7.15528 14.3013 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.46102 8.16743 4.85329 8.25051 8.96553 10.2611 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.91301 8.16743 12.9498 8.25051 9.62879 10.2611 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.36377 9.05346 6.2983 4.78943 5.05803 7.03948 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 6.36377 9.05346 6.2983 5.48395 6.31718 5.47769 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.88695 9.97117 7.23546 5.3315 8.34347 6.73162 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 5.41493 6.0961 5.0364 5.09229 6.19529 9.68811 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.20538 7.23914 6.28202 6.93876 8.66265 11.465 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.05508 8.17564 14.134 5.34079 6.85766 12.4738 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 9.00229 8.17564 14.9359 10.1484 8.95999 16.9839 numMergedOcc 0
11 mol 59 unq 2 iso 0 dist 7.7978 8.68726 6.7583 6.8958 7.17396 12.4686 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.72689 6.98838 5.90098 13.7794 9.36773 9.15979 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 7.74197 5.82918 6.95868 4.0486 9.36773 9.2603 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 7.86537 5.82918 6.97239 4.0486 8.31336 9.2603 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 7.75811 9.16721 9.85676 4.8042 5.83409 12.0114 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 10.4485 7.90328 6.62561 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 6.90827 9.58171 4.91401 5.27151 7.83136 7.63616 numMergedOcc 0
18 mol 117 unq 2 iso 0 dist 6.90827 9.58171 4.91401 4.45276 7.0603 10.6107 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 5.6098 8.40312 12.5969 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.31125 9.90096 6.19596 4.29914 7.12972 8.6243 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 6.31125 9.90096 6.19596 5.59449 6.85062 6.91348 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 6.7973 9.89699 10.2071 5.01118 6.23493 13.8535 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 6.7973 9.16944 4.9093 5.01118 6.23493 9.17284 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 5.59806 9.19849 6.58937 8.66436 9.87651 8.62646 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.84952 6.17129 6.7991 4.3158 7.81386 4.93785 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.84952 6.17129 6.7991 12.9554 7.63312 10.1232 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 8.62103 6.87234 11.9386 3.84723 6.18308 10.1086 numMergedOcc 0
28 mol 210 unq 1 iso 0 dist 8.62103 8.72017 15.2792 3.84723 6.18308 12.1564 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 4.84709 9.39099 10.7373 4.55245 8.82096 12.3623 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 7.85877 7.35476 12.2813 4.82768 7.21333 6.82208 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 9.9474 7.09863 15.2609 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 9.29752 9.61294 13.5597 9.60401 8.27212 11.4727 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.86368 7.24774 7.50943 12.0816 9.45496 16.1247 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 7.86368 7.24774 7.50943 6.94762 6.7625 11.1284 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 9.11256 8.19915 4.65302 6.84447 5.4638 8.21247 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.66569 6.98151 6.04825 4.15973 6.27581 5.34718 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.24928 8.81534 6.20606 5.33567 6.57393 5.38637 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 8.59074 9.46582 13.7993 9.18011 5.72887 12.1104 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 8.59074 9.77231 13.069 9.18011 5.72887 9.29858 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 5.59901 5.30224 7.76676 numMergedOcc 0
