0 mol 5 unq 0 iso 0 dist 9.41648 8.58084 14.7339 13.0288 17.5743 7.89217 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.41648 8.58084 14.7339 7.18062 14.3156 6.99733 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 5.85008 6.9099 5.81511 6.16108 9.57176 6.63518 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 9.54644 7.23823 5.81511 6.73215 9.57176 6.63518 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 7.23016 7.83092 5.86652 9.47356 11.4912 6.82081 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.46263 9.1695 9.66182 3.80217 8.80303 9.96522 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.49502 7.6314 11.775 11.1268 18.7419 8.03504 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 9.49502 7.6314 11.775 6.48194 14.1398 7.87739 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 8.05974 9.47132 9.7909 9.76738 14.4823 9.56188 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.54935 7.6104 10.8898 14.0631 18.664 7.9309 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.74224 8.38998 6.90066 10.9086 15.1493 9.00302 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 5.33139 8.38998 4.06845 10.9086 10.8623 9.00302 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 9.56189 8.68755 6.2739 4.37633 11.2509 8.32987 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 9.56189 8.68755 6.2739 10.0585 5.15834 8.44321 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.83804 9.92349 12.0323 5.4891 11.107 9.57625 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 6.83804 9.70779 9.98999 15.2237 18.6366 9.984 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 6.83804 9.70779 9.98999 5.4891 11.107 8.08702 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.46045 6.55222 4.72952 14.1404 9.85256 7.80073 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 5.83014 8.01663 4.52659 5.28877 8.17286 7.16286 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.80478 7.7368 9.44841 4.64631 8.85872 7.58907 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.80478 7.7368 9.44841 4.64631 8.85872 7.58907 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.80478 7.7368 9.44841 4.64631 8.85872 7.58907 numMergedOcc 0
