0 mol 5 unq 0 iso 0 dist 6.40459 7.0627 6.94674 7.37069 8.58084 12.1228 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.58084 8.80355 5.34991 7.37069 6.40459 10.355 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 7.66522 9.83585 15.5198 7.77965 8.49309 10.7623 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.85245 5.03531 3.6629 15.2626 8.43571 11.0698 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 6.9099 5.58536 8.72524 5.71189 7.23823 10.7133 numMergedOcc 0
5 mol 36 unq 1 iso 0 dist 7.23823 6.6055 6.28198 5.71189 6.9099 10.1135 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 8.10747 8.12953 4.75232 8.52584 8.37542 12.1713 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 8.68179 9.5648 15.5141 8.81864 8.94308 18.1224 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 8.94308 7.33483 5.6513 8.81864 8.68179 9.13726 numMergedOcc 0
9 mol 167 unq 2 iso 0 dist 5.32056 9.5648 11.1876 8.81864 9.74227 18.1224 numMergedOcc 0
10 mol 167 unq 3 iso 0 dist 9.74227 7.33483 7.72283 8.81864 5.32056 9.13726 numMergedOcc 0
11 mol 167 unq 4 iso 0 dist 9.52659 9.5648 9.45943 11.9175 7.35339 10.7561 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.01437 6.24232 3.60864 12.1937 9.6856 8.1953 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 9.01437 6.13116 7.08284 12.1937 9.6856 8.16253 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 9.6856 8.1953 3.60864 12.1937 9.01437 6.24232 numMergedOcc 0
15 mol 168 unq 3 iso 0 dist 9.6856 8.16253 7.08284 12.1937 9.01437 6.13116 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.7707 7.00278 6.42785 11.978 7.52692 12.4872 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 5.51558 6.19516 6.43422 4.27317 5.73883 8.60359 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 5.73883 8.60359 6.43422 4.27317 5.51558 6.19516 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 8.0367 5.27761 7.1185 12.5447 6.63325 13.245 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 8.19595 8.3872 5.32967 13.7606 8.56255 13.1269 numMergedOcc 0
