0 mol 5 unq 0 iso 0 dist 7.15734 6.77563 5.32128 6.93063 10.0814 5.51373 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.15734 6.77563 5.32128 7.86627 9.58245 4.83457 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 8.92565 6.76978 5.36145 5.8726 11.2086 6.33368 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.83595 8.37503 6.40527 7.75449 5.38833 9.86672 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 7.52622 6.1312 10.433 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 8.98151 6.65963 5.38 7.34368 11.2884 6.3084 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 8.98151 8.62711 6.75619 7.34368 11.2884 12.4721 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.954 9.42819 8.35998 9.98649 10.8238 16.1113 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 8.98459 9.89142 6.89489 7.98503 6.79626 12.1192 numMergedOcc 0
9 mol 162 unq 2 iso 0 dist 8.98459 9.89142 6.89489 7.80955 8.44832 5.05715 numMergedOcc 0
10 mol 162 unq 3 iso 0 dist 8.98459 9.89142 6.89489 7.93307 13.1065 13.699 numMergedOcc 0
11 mol 162 unq 4 iso 0 dist 8.98459 8.06091 11.0054 7.98503 6.79626 9.48658 numMergedOcc 0
12 mol 162 unq 5 iso 0 dist 8.98459 8.06091 11.0054 7.80955 8.44832 5.65753 numMergedOcc 0
13 mol 162 unq 6 iso 0 dist 8.98459 8.06091 11.0054 7.93307 13.1065 4.06231 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 5.97008 8.84671 8.75092 7.90789 8.51683 9.27827 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 5.97008 8.84671 8.75092 4.13397 8.00155 6.37375 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.94142 8.93307 11.5966 7.39604 14.6184 7.82214 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.08767 9.08672 5.17355 7.62128 14.8895 13.9867 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 8.01243 5.72234 14.1217 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.35148 7.30244 10.48 9.55264 13.2318 3.91796 numMergedOcc 0
20 mol 220 unq 2 iso 0 dist 7.35148 7.29796 5.23846 8.01243 5.72234 9.83649 numMergedOcc 0
21 mol 220 unq 3 iso 0 dist 7.35148 7.29796 5.23846 9.55264 13.2318 10.4288 numMergedOcc 0
22 mol 220 unq 4 iso 0 dist 7.57716 9.85951 9.86723 9.1318 5.68462 7.05672 numMergedOcc 0
23 mol 220 unq 5 iso 0 dist 8.98362 9.85951 6.80494 9.1318 10.8062 7.05672 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 9.55911 9.19415 4.32714 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 9.55911 5.32839 4.32714 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 7.5725 5.71181 10.3804 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 7.55125 15.3356 11.1638 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 9.05568 5.87866 12.0749 numMergedOcc 0
29 mol 265 unq 1 iso 0 dist 6.5072 7.54805 12.4903 9.05568 10.9415 12.0749 numMergedOcc 0
30 mol 265 unq 2 iso 0 dist 4.03921 7.54805 5.11366 9.05568 11.4155 12.0749 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 7.15389 8.27425 4.83983 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 9.47963 6.86342 7.94887 8.52276 4.91763 3.94511 numMergedOcc 0
33 mol 284 unq 1 iso 0 dist 9.47963 6.86342 7.94887 7.55623 4.127 6.89341 numMergedOcc 0
