0 mol 20 unq 0 iso 0 dist 9.2233 9.98157 4.49878 9.25293 10.6535 7.5517 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67696 9.74777 7.02381 11.9066 9.69752 9.41655 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.63824 4.11146 7.70921 6.2004 5.02954 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.85546 9.39194 6.38009 5.24517 10.0284 7.78893 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.85546 7.30322 11.1138 5.24517 10.0284 5.85146 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.01382 8.06894 3.23074 8.84114 10.7246 8.18666 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.01382 8.06894 3.23074 5.60142 5.53589 4.92457 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 7.77386 5.89846 3.23074 4.82167 10.7246 8.18666 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 7.77386 5.89846 3.23074 4.84866 5.53589 4.92457 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 6.70158 8.61597 14.19 3.74136 10.4115 6.46217 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.29701 8.61597 6.4154 3.74136 7.62611 6.46217 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.82036 6.40989 4.8632 8.69165 6.76575 9.67274 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 5.44816 6.73983 8.88454 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.93424 8.14978 3.80763 9.06521 8.6387 9.48581 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.8891 8.14978 9.98068 5.44816 7.64956 8.88454 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.8891 8.14978 9.98068 9.06521 11.844 9.48581 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 9.13228 7.42696 12.8344 9.29266 15.5573 5.71872 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.71806 4.55528 3.7326 5.5201 6.37788 5.13892 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.71806 4.55528 3.7326 6.55595 8.7028 8.2232 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 7.71806 4.42095 7.29209 5.5201 6.37788 5.78717 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 8.88206 9.08818 5.34495 12.5087 9.20541 8.98941 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 8.88206 9.08818 5.34495 9.82261 9.12739 5.4621 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 9.3968 9.64987 6.21317 5.33482 10.9749 7.83105 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 9.3968 7.12149 11.6032 5.33482 10.9749 5.63025 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 8.35637 5.2116 3.99887 9.34602 7.39391 8.38453 numMergedOcc 0
25 mol 255 unq 0 iso 0 dist 8.33795 8.66655 7.93069 5.94208 10.7004 7.73503 numMergedOcc 0
