0 mol 48 unq 0 iso 0 dist 6.72531 8.86877 5.28198 9.04514 4.91237 9.87339 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.5915 7.19193 14.5687 9.51017 9.35075 14.0681 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 5.96486 7.41802 6.15601 8.9672 4.57548 7.51604 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 5.96486 7.41802 6.15601 9.80754 8.00722 11.7577 numMergedOcc 0
4 mol 154 unq 0 iso 0 dist 7.10223 8.5081 5.55349 8.65008 3.82471 9.3097 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 6.91762 7.49276 6.16281 9.22494 9.32017 4.68591 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 7.5447 6.96837 7.1643 9.24754 14.6044 8.71765 numMergedOcc 0
7 mol 163 unq 1 iso 0 dist 9.04757 6.96837 9.30415 9.24754 9.20952 8.71765 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.86645 9.99964 11.6831 8.90161 10.4092 4.12983 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.80584 9.9224 14.5078 5.21088 8.61606 8.02909 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 9.80584 9.9224 14.5078 9.78743 19.1942 12.1423 numMergedOcc 0
11 mol 192 unq 2 iso 0 dist 9.80584 9.9224 14.5078 8.25609 4.97164 12.357 numMergedOcc 0
12 mol 192 unq 3 iso 0 dist 7.95713 9.9224 10.161 5.21088 5.41356 8.02909 numMergedOcc 0
13 mol 192 unq 4 iso 0 dist 7.95713 9.9224 10.161 9.78743 16.5293 12.1423 numMergedOcc 0
14 mol 192 unq 5 iso 0 dist 7.95713 9.9224 10.161 8.25609 4.87986 12.357 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.97651 9.39697 9.79531 9.35664 11.0735 5.87625 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 8.97651 4.86882 6.4405 9.35664 11.0735 8.32665 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 9.06357 5.11058 13.4361 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 5.06669 8.93421 7.94286 9.06357 5.11058 5.39827 numMergedOcc 0
19 mol 244 unq 2 iso 0 dist 5.06669 7.35657 5.36127 9.06357 5.11058 5.10436 numMergedOcc 0
20 mol 244 unq 3 iso 0 dist 5.06669 6.19605 6.81518 9.06357 5.11058 7.77495 numMergedOcc 0
21 mol 244 unq 4 iso 0 dist 5.65248 8.19381 8.52699 9.06357 10.8525 13.4361 numMergedOcc 0
22 mol 244 unq 5 iso 0 dist 5.65248 8.93421 12.4452 9.06357 10.8525 5.39827 numMergedOcc 0
23 mol 244 unq 6 iso 0 dist 5.65248 7.35657 11.2736 9.06357 10.8525 5.10436 numMergedOcc 0
24 mol 244 unq 7 iso 0 dist 5.65248 6.19605 7.59011 9.06357 10.8525 7.77495 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 9.65548 7.85081 12.2609 9.75065 15.7979 5.4939 numMergedOcc 0
26 mol 247 unq 1 iso 0 dist 8.05213 7.85081 5.57603 9.75065 9.58184 5.4939 numMergedOcc 0
27 mol 247 unq 2 iso 0 dist 8.67304 7.85081 8.53302 9.75065 4.80559 5.4939 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.30455 9.03983 9.69102 8.93518 4.95084 10.7817 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 6.8184 9.03983 4.76806 8.93518 6.85606 10.7817 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 8.89372 6.33332 5.39342 9.64435 10.7219 6.75339 numMergedOcc 0
