0 mol 26 unq 0 iso 0 dist 5.84066 4.80984 6.73167 4.98603 6.07276 5.30297 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.06516 14.3325 6.38243 11.553 6.81793 5.66783 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.96121 8.13684 6.38243 10.8434 6.81793 5.66783 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.39807 7.24263 6.9223 6.23341 6.87506 8.67827 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.39807 12.5937 7.0561 6.23341 6.87506 13.0818 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.44979 5.92812 6.83746 10.2677 9.25444 14.6934 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.44979 5.92812 6.83746 5.71029 8.46823 11.4207 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 4.44979 6.34014 9.14707 10.2677 9.25444 16.2968 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 4.44979 6.34014 9.14707 5.71029 8.46823 8.26478 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 6.61111 13.6622 8.75597 10.2677 9.84703 8.02554 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 6.61111 13.6622 8.75597 5.71029 4.62494 11.2092 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 6.61111 6.34014 9.18457 10.2677 9.84703 16.2968 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 6.61111 6.34014 9.18457 5.71029 4.62494 8.26478 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 8.91262 9.06991 7.44041 10.8329 8.72725 15.0784 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.13374 11.1324 9.57341 7.39626 8.67537 14.8901 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.08536 8.96522 9.57341 15.4934 8.67537 14.8901 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.50705 6.30647 9.05336 5.93461 9.94998 10.0747 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.10155 7.69247 6.72182 4.26755 9.00322 7.50057 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 5.87439 9.08602 6.34234 4.4994 6.22742 6.0634 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 8.18059 8.18628 6.34234 5.99784 6.22742 6.0634 numMergedOcc 0
20 mol 195 unq 2 iso 0 dist 9.74988 5.15519 7.87972 11.5313 9.24936 11.4252 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 5.73591 8.5129 8.54702 6.957 5.05368 10.0385 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.55345 7.96876 8.54702 7.16077 5.05368 10.0385 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.11572 8.16702 9.08151 7.17691 7.77911 9.35405 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 9.49229 9.70708 9.08151 6.51967 7.77911 9.35405 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 7.20293 11.7632 9.08151 4.51304 7.77911 9.35405 numMergedOcc 0
26 mol 267 unq 0 iso 0 dist 5.08174 9.7551 7.60505 10.0939 6.27154 4.61607 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.06937 12.0694 5.4307 6.2726 5.61969 9.76492 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 9.06937 12.0694 5.4307 5.33053 9.0277 11.5256 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.92667 8.12656 5.81528 14.9504 7.17958 8.43508 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 6.0283 4.66909 5.81528 9.09973 7.17958 8.43508 numMergedOcc 0
