0 mol 62 unq 0 iso 0 dist 9.51503 8.33049 8.67162 9.00943 8.98132 4.85282 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.21813 9.55396 5.94696 7.7946 7.65932 5.84583 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.89276 6.62277 5.94696 12.1983 7.65932 5.84583 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.55446 6.61244 5.37302 10.7925 5.95402 6.28645 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.84391 4.73128 7.48533 8.59634 4.95654 6.8456 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.91143 10.9168 6.16862 7.82774 5.87062 6.34149 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.91143 12.2471 9.70325 7.82774 5.87062 8.63279 numMergedOcc 0
7 mol 135 unq 0 iso 0 dist 5.95344 8.06979 5.43728 8.27195 4.75453 6.1777 numMergedOcc 0
8 mol 135 unq 1 iso 0 dist 5.95344 8.06979 5.43728 9.98629 4.14325 6.29701 numMergedOcc 0
9 mol 135 unq 2 iso 0 dist 7.8687 6.64028 5.43728 7.16327 4.75453 6.1777 numMergedOcc 0
10 mol 135 unq 3 iso 0 dist 7.8687 6.64028 5.43728 10.4785 4.14325 6.29701 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 5.53978 8.73594 7.6793 14.4522 13.8705 6.4822 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 6.4477 9.75979 7.13378 7.57654 4.50898 9.5348 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 7.92203 9.5782 7.13378 11.579 4.50898 9.5348 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 5.77897 6.54652 5.51388 11.1027 6.08318 6.57161 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.71763 14.3008 5.51388 12.5602 6.08318 6.57161 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 8.76228 9.91529 9.51638 12.9967 14.7762 8.85548 numMergedOcc 0
17 mol 180 unq 0 iso 0 dist 8.92145 4.10999 8.79411 12.531 11.7122 8.65601 numMergedOcc 0
18 mol 180 unq 1 iso 0 dist 8.92145 4.10999 8.79411 7.54921 7.08508 6.33325 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.76698 9.30964 5.68717 8.74127 4.48112 4.76689 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 4.76698 9.30964 5.68717 8.23332 5.72956 8.79012 numMergedOcc 0
