0 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 11.7823 6.73162 11.1917 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 8.25891 8.37225 11.7823 6.73162 6.0365 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 6.35048 9.83618 10.1053 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 6.84612 8.68586 4.97497 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.04256 4.85985 7.89424 9.07668 7.96497 9.74458 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.51075 9.89879 7.89424 3.89794 7.96497 9.74458 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 6.95595 4.18109 9.20448 8.91765 5.15851 8.88127 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 6.95595 4.01868 6.96759 8.91765 5.15851 6.78257 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 6.95595 6.54389 6.97318 8.91765 5.15851 4.7798 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.58841 4.81317 8.77218 10.5948 8.97793 10.8271 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.58841 4.81317 8.77218 13.8628 8.19682 13.1819 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.3164 12.6973 9.41191 5.49138 5.87358 7.32599 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.86531 4.98521 9.47554 5.80615 7.92688 6.61857 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.92932 5.73962 9.16358 6.27009 8.79571 5.0903 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.60411 5.73962 6.48328 6.27009 5.42582 5.0903 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 9.55556 10.971 9.16358 10.2625 8.79571 5.0903 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 6.51591 9.13561 10.8622 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 4.44292 5.49557 8.57712 4.40049 7.39644 6.6805 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 4.44292 5.49557 8.57712 6.61119 7.70572 11.3672 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 7.30954 14.7871 8.02366 4.20839 8.61331 16.4277 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 9.36086 10.7172 6.82787 5.94354 9.27478 10.7843 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 12.5517 9.19704 15.3503 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.51764 8.79059 9.92165 6.09245 6.97182 4.40728 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 9.51764 8.79059 9.92165 10.8345 6.1175 5.75872 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 5.36829 10.6379 9.92165 8.69149 6.97182 4.40728 numMergedOcc 0
25 mol 214 unq 3 iso 0 dist 5.36829 10.6379 9.92165 6.00706 6.1175 5.75872 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 10.4294 8.83735 10.0505 numMergedOcc 0
27 mol 249 unq 1 iso 0 dist 8.94023 9.91022 6.26142 9.10124 8.83735 10.0505 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 13.8592 9.41725 6.20663 numMergedOcc 0
29 mol 293 unq 0 iso 0 dist 6.27435 6.74585 5.44043 4.37303 8.56847 5.86908 numMergedOcc 0
30 mol 293 unq 1 iso 0 dist 6.27435 4.13058 9.25564 4.37303 8.56847 6.42397 numMergedOcc 0
