0 mol 0 unq 0 iso 0 dist 9.16606 6.94181 5.85361 8.65478 13.4692 14.554 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.86053 5.00126 8.20173 8.82943 10.8914 5.20561 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.76925 5.00126 8.11238 8.82943 13.1234 5.20561 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.62469 9.17086 5.39546 9.79386 10.7481 12.6657 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.29755 6.54183 5.58127 9.63616 15.2635 15.3154 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 7.4038 6.54183 5.54544 9.63616 16.9039 15.3154 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.88143 5.85841 4.04716 8.73798 13.2666 9.53244 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.88143 7.00285 13.0429 8.73798 13.2666 6.54016 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 6.62952 5.85841 4.75433 8.73798 8.734 9.53244 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 6.62952 7.00285 11.5098 8.73798 8.734 6.54016 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 4.3521 6.78839 4.75433 5.24616 8.734 9.53244 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 4.3521 8.02354 11.5098 5.24616 8.734 6.54016 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 7.11476 9.3485 4.59715 6.54699 6.43467 7.98263 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 8.03603 6.35314 5.1738 9.66083 5.3096 9.79481 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.08686 8.59098 8.98359 5.78626 3.86041 9.07614 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 9.08686 8.59098 8.98359 4.68068 5.05049 6.05019 numMergedOcc 0
16 mol 172 unq 0 iso 0 dist 5.28889 9.54849 10.0276 7.3485 9.6831 4.44923 numMergedOcc 0
17 mol 172 unq 1 iso 0 dist 5.28889 5.5139 5.79462 7.3485 9.6831 4.52195 numMergedOcc 0
18 mol 172 unq 2 iso 0 dist 4.90175 9.54849 10.6482 7.3485 7.16279 4.44923 numMergedOcc 0
19 mol 172 unq 3 iso 0 dist 4.90175 5.5139 8.10512 7.3485 7.16279 4.52195 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 9.81506 4.19179 11.3631 numMergedOcc 0
21 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 9.81506 6.28791 11.3631 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.00841 8.98668 12.7003 9.87415 8.58146 17.6924 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 5.70674 7.72708 9.37444 5.7671 4.49386 5.57138 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 5.73448 9.88373 5.36693 9.47133 5.9731 9.49213 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 5.73448 9.88373 5.36693 7.61537 3.69576 7.21844 numMergedOcc 0
26 mol 254 unq 2 iso 0 dist 9.54526 9.88373 4.83107 9.47133 11.7647 9.49213 numMergedOcc 0
27 mol 254 unq 3 iso 0 dist 9.54526 9.88373 4.83107 7.61537 9.17109 7.21844 numMergedOcc 0
