0 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 8.7997 6.27507 11.8176 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.16345 8.21595 5.59189 5.58336 6.12735 10.9898 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.16345 9.60744 7.78507 5.58336 6.12735 13.4953 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 9.44641 9.85342 17.681 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 5.09265 9.25638 9.35682 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 8.71615 9.08821 5.58151 5.09265 9.25638 12.12 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 9.1109 9.3485 7.53958 8.67739 7.42633 13.5147 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.16113 6.04412 5.71451 5.36433 9.29626 9.32559 numMergedOcc 0
8 mol 199 unq 0 iso 0 dist 8.80983 9.30897 12.1142 7.42506 8.44119 15.7801 numMergedOcc 0
9 mol 203 unq 0 iso 0 dist 6.8395 9.36402 6.78107 7.31152 9.97893 12.6127 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 9.77463 8.40945 10.2501 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 11.173 7.81237 5.39218 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 9.74567 9.4142 16.9584 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 8.68767 7.75485 9.74911 9.74567 9.4142 15.0769 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 8.34471 8.40766 9.45618 8.11944 9.12231 11.1621 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.35457 9.07043 5.73592 7.51358 8.67354 14.0681 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 5.68643 8.78883 4.97216 6.06272 9.32156 10.7773 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 5.59151 5.82876 7.96313 8.48682 9.70022 8.41236 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 5.59151 8.71129 13.1879 8.48682 9.70022 11.0949 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 8.17922 5.82876 7.97998 8.48682 7.32898 8.41236 numMergedOcc 0
20 mol 274 unq 4 iso 0 dist 8.17922 8.71129 5.7745 8.48682 7.32898 11.0949 numMergedOcc 0
