0 mol 11 unq 0 iso 0 dist 6.84216 8.68293 14.8738 10.7734 9.81983 18.8128 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.23075 4.7841 6.0925 5.11617 7.85986 4.30252 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.7841 8.23075 6.0925 4.50066 7.03544 12.1223 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.7841 8.23075 6.0925 5.11617 4.30252 7.85986 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.98005 8.31381 6.92384 10.797 9.82851 15.3948 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 7.98005 8.31381 6.92384 10.9837 9.11311 15.3903 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.15542 8.89047 6.87266 8.82805 7.20729 13.73 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 7.15542 8.89003 4.62605 8.82805 7.20729 11.6534 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 5.25027 4.37025 5.30569 7.23157 6.2576 9.11841 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 5.25027 4.37025 5.30569 12.5946 8.96069 12.5055 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 5.25027 4.37025 5.30569 9.69296 7.56495 7.63923 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 4.37025 5.25027 5.30569 6.54837 5.79139 9.44983 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 4.37025 5.25027 5.30569 9.69296 7.63923 7.56495 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.69926 5.85237 2.58673 10.6804 9.13593 8.25144 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 5.85237 7.69926 2.58673 10.6804 8.25144 9.13593 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.59585 9.7073 9.78508 8.42718 5.35711 11.8845 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 7.02367 9.30832 10.8127 7.27193 9.62952 16.2944 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 6.73617 9.03544 3.6066 8.93262 9.59327 8.51399 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 9.03544 6.73617 3.6066 8.93262 8.51399 9.59327 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.37946 9.13646 9.48187 8.6888 5.41121 11.7722 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 9.37946 8.34216 12.9271 8.6888 5.41121 14.4532 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 8.25985 9.27788 6.61868 4.9377 9.78273 11.9664 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 5.4557 7.12221 8.40845 6.93678 7.08328 13.143 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 5.50053 7.33334 3.77058 11.6729 6.18742 6.8089 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 7.33334 5.50053 3.77058 11.6729 6.8089 6.18742 numMergedOcc 0
