0 mol 10 unq 0 iso 0 dist 8.98746 8.65597 6.68744 9.94602 8.7908 5.05883 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.32699 14.0438 9.77004 9.58381 9.05737 6.38985 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.45933 10.6879 9.77004 7.61744 9.05737 6.38985 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 5.19407 4.96022 9.58357 4.61081 6.79423 8.70071 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.2753 4.47873 9.22903 4.24482 4.18248 5.81844 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.96446 9.58856 9.47481 4.28396 5.24346 7.58344 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.69371 13.0386 7.36025 9.05868 4.91212 4.21801 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 8.69371 13.0386 7.36025 9.16288 9.34782 10.0002 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.0237 6.70003 9.82654 4.58282 6.55227 5.21959 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93944 13.1656 9.80185 4.49266 4.88514 14.6304 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.31316 14.5547 9.60788 3.64489 4.68722 13.5754 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 7.31316 14.5547 9.60788 9.00349 5.18325 13.2754 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 8.9865 5.25176 9.60788 13.481 4.68722 13.5754 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 8.9865 5.25176 9.60788 11.1547 5.18325 13.2754 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 7.6142 5.15447 9.7465 3.64536 4.55853 5.39544 numMergedOcc 0
15 mol 268 unq 0 iso 0 dist 5.01283 7.11328 7.04565 7.56592 9.52476 11.3819 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 9.33601 5.2842 8.91437 11.6748 7.31132 9.02852 numMergedOcc 0
