0 mol 56 unq 0 iso 0 dist 5.67098 3.97946 5.42296 10.1056 6.56778 9.09425 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.58218 7.82134 5.42296 14.0226 6.56778 9.09425 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.09641 3.60431 9.40835 6.94677 5.11693 9.83914 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.07582 7.80434 5.82384 14.3773 8.45612 7.38548 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.30724 9.79765 6.18681 13.7463 4.48233 8.61893 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 8.46844 3.47453 5.97134 11.4264 4.70993 8.90588 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 9.00025 3.47137 7.6077 7.98682 8.00091 4.51777 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 9.00025 3.47137 7.6077 7.42278 9.86823 4.9606 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 5.41368 3.55808 7.61421 5.66363 6.03415 9.20617 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 7.96182 6.33098 7.61421 5.97968 6.03415 9.20617 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 7.90237 8.9845 7.61421 8.63119 6.03415 9.20617 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 7.31632 9.74857 9.81165 12.4206 10.5686 6.81516 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 7.31632 5.83113 7.74029 10.8631 11.9538 5.59832 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 7.31632 5.83113 7.74029 12.4206 10.5686 9.17562 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.39099 7.89413 7.72298 13.6876 10.8576 8.41013 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 8.56029 7.67795 9.94661 11.2679 14.275 9.9444 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 8.56029 7.67795 9.94661 13.8825 11.3687 8.1769 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 8.85005 9.4876 6.01404 8.76332 4.39689 8.79261 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 8.96754 7.01472 6.01404 13.1934 4.39689 8.79261 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.12793 10.0659 6.25334 17.7525 11.177 9.01437 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 6.21208 7.2873 6.25334 14.4042 11.177 9.01437 numMergedOcc 0
