0 mol 2 unq 0 iso 0 dist 8.66033 14.6076 6.52386 12.7276 6.3286 3.61797 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 9.8254 6.52386 6.45938 6.3286 3.61797 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.52881 4.61354 7.85573 8.23748 8.96839 6.15821 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 4.52881 6.03595 6.21423 8.23748 8.96839 3.37774 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 7.77338 5.85002 9.33754 6.83136 7.92196 6.61339 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.21251 6.40918 6.98121 7.68784 7.40801 3.9717 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 5.37527 5.97457 7.24906 5.49954 8.49775 4.09598 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.07051 11.6306 8.52125 11.1671 6.03038 3.65691 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.07051 11.6306 8.52125 4.37197 9.21675 9.66133 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 7.84109 5.32598 6.46069 11.8475 9.01604 6.62209 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 7.84109 5.32598 6.46069 8.75651 5.37466 4.3192 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 7.76167 5.92269 6.60739 9.46631 8.78761 3.78181 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 8.42082 5.92269 5.55129 9.46631 5.69707 3.78181 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 7.83202 5.95123 6.71763 9.47461 8.75537 3.72958 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 8.47493 5.95123 5.53778 9.47461 5.62239 3.72958 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.20292 5.34678 5.89907 10.8114 9.63905 8.94242 numMergedOcc 0
16 mol 153 unq 0 iso 0 dist 7.53192 7.21701 5.44883 4.06371 9.34431 6.47446 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 9.94658 12.445 5.40655 9.83707 6.39437 7.92822 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 6.66634 9.71601 6.50727 7.2941 6.04056 5.52807 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 6.66634 9.71601 6.50727 10.0302 5.5343 4.20442 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 6.66634 9.71601 6.50727 13.0055 9.64466 4.42558 numMergedOcc 0
21 mol 197 unq 3 iso 0 dist 6.66634 9.71601 6.50727 14.7952 8.8252 6.84976 numMergedOcc 0
22 mol 197 unq 4 iso 0 dist 6.66634 13.0921 7.84826 7.2941 6.04056 10.0758 numMergedOcc 0
23 mol 197 unq 5 iso 0 dist 6.66634 13.0921 7.84826 10.0302 5.5343 6.9944 numMergedOcc 0
24 mol 197 unq 6 iso 0 dist 6.66634 13.0921 7.84826 13.0055 9.64466 4.23731 numMergedOcc 0
25 mol 197 unq 7 iso 0 dist 6.66634 13.0921 7.84826 14.7952 8.8252 3.44524 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.10711 13.3146 8.56656 8.5826 9.83104 7.43067 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 9.91243 12.5271 6.74371 11.6667 6.16787 5.10432 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 9.86809 7.58901 6.56262 4.51811 6.5546 3.52422 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 7.14718 5.18094 9.21743 6.21028 7.63134 3.60277 numMergedOcc 0
30 mol 244 unq 1 iso 0 dist 6.59726 5.18094 6.06284 6.21028 6.26442 3.60277 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 5.81003 7.04281 8.9297 5.23923 9.75866 8.93866 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.09556 4.86861 6.98812 12.6189 5.8374 9.77191 numMergedOcc 0
