0 mol 1 unq 0 iso 0 dist 8.27735 9.11012 9.72202 6.03793 8.56884 9.39338 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.7829 9.75144 9.97498 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.34549 8.23892 9.80897 7.23551 6.73162 11.1917 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.34549 5.19532 8.37225 7.23551 6.73162 6.0365 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.09068 14.6126 9.80897 4.03252 6.73162 11.1917 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 8.09068 9.51004 8.37225 4.03252 6.73162 6.0365 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.72289 17.2928 9.80897 8.34836 6.73162 11.1917 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.72289 12.8246 8.37225 8.34836 6.73162 6.0365 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 10.7814 9.83618 10.1053 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 4.79472 5.15851 8.88127 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.64872 9.39059 6.96759 4.79472 5.15851 6.78257 numMergedOcc 0
11 mol 75 unq 2 iso 0 dist 8.64872 4.6252 6.97318 4.79472 5.15851 4.7798 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.63534 12.1289 8.77218 4.35757 8.97793 10.8271 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 7.63534 12.1289 8.77218 6.55474 8.19682 13.1819 numMergedOcc 0
14 mol 76 unq 2 iso 0 dist 8.51543 5.51994 7.46657 8.36307 6.21982 6.14439 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 5.39389 7.76729 10.8105 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 11.1266 7.92688 6.61857 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 12.6562 9.13561 10.8622 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 8.42124 8.96511 6.70227 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 8.63718 7.28647 9.63185 8.15374 8.96511 6.70227 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.43406 6.35731 7.7544 4.56814 4.93785 5.20775 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 6.27504 5.90931 12.7783 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.73266 7.03981 9.44947 6.67807 5.90931 12.7783 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 4.53973 7.06793 4.76056 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 5.98813 6.67585 10.7068 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 4.48571 6.25105 10.024 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.6281 6.70367 5.46736 5.91466 6.25105 10.024 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 4.47231 5.34718 4.71339 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 6.97756 7.46206 7.73213 8.28913 6.83797 6.83816 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.69345 10.7413 6.11671 13.2072 7.50578 3.83813 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 10.971 9.41725 6.20663 numMergedOcc 0
