0 mol 11 unq 0 iso 0 dist 9.76233 6.64342 6.84216 13.4378 9.81983 10.7734 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.98169 9.50079 8.95154 4.16414 5.19518 8.4285 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.61514 12.3909 7.69926 15.3449 9.13593 10.6804 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 8.21116 12.3909 5.85237 15.3449 8.25144 10.6804 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 8.21116 17.1393 9.11768 15.3449 8.25144 6.85929 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.91023 9.62604 7.92856 11.5585 9.90672 14.1056 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.91023 9.62604 7.92856 6.1745 7.55367 14.3413 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.27028 4.83846 7.02367 7.73772 9.62952 7.27193 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.66313 4.93421 4.80684 10.2818 6.21165 5.92984 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.66313 9.5414 7.60162 10.2818 6.21165 7.45148 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 6.3646 7.79347 4.80684 10.6827 6.21165 5.92984 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 6.3646 6.77381 7.60162 10.6827 6.21165 7.45148 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.91039 8.99682 8.64905 8.63303 7.2932 10.4028 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 5.55632 10.0762 8.89394 6.71173 8.90588 10.0639 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.19926 11.8143 5.90765 6.73937 9.31569 8.98536 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.19926 11.8143 5.90765 15.8935 8.72743 7.30024 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.95095 7.6323 6.76495 5.0607 7.08328 4.66802 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.95095 6.30874 5.4557 5.0607 7.08328 6.93678 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 8.78416 6.83107 5.50053 13.7467 6.18742 11.6729 numMergedOcc 0
19 mol 281 unq 1 iso 0 dist 9.22428 6.83107 7.33334 13.7467 6.8089 11.6729 numMergedOcc 0
20 mol 281 unq 2 iso 0 dist 7.82358 5.22248 5.50053 12.8593 6.18742 11.6729 numMergedOcc 0
21 mol 281 unq 3 iso 0 dist 7.95687 12.5417 7.33334 13.7172 6.8089 11.6729 numMergedOcc 0
