0 mol 1 unq 0 iso 0 dist 6.35771 9.43252 8.26708 9.78282 7.73435 10.5521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.35771 9.43252 8.26708 4.43123 5.71995 7.15595 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.35771 10.7006 6.09918 9.78282 7.73435 7.4817 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.35771 10.7006 6.09918 4.43123 5.71995 7.63941 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.70793 14.4127 6.82379 14.1846 7.12263 5.7531 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 7.70793 14.4127 6.82379 6.1146 5.00267 11.0223 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 7.70793 12.428 6.24978 14.1846 7.12263 4.88215 numMergedOcc 0
7 mol 8 unq 3 iso 0 dist 7.70793 12.428 6.24978 6.1146 5.00267 6.80407 numMergedOcc 0
8 mol 8 unq 4 iso 0 dist 7.70793 14.2248 9.66439 14.1846 7.12263 6.36434 numMergedOcc 0
9 mol 8 unq 5 iso 0 dist 7.70793 14.2248 9.66439 6.1146 5.00267 8.44094 numMergedOcc 0
10 mol 8 unq 6 iso 0 dist 7.70793 8.93161 7.3915 14.1846 7.12263 8.79272 numMergedOcc 0
11 mol 8 unq 7 iso 0 dist 7.70793 8.93161 7.3915 6.1146 5.00267 6.32152 numMergedOcc 0
12 mol 13 unq 0 iso 0 dist 7.56303 7.01217 5.78148 5.97329 9.10587 10.9884 numMergedOcc 0
13 mol 13 unq 1 iso 0 dist 7.56303 7.16388 6.26071 5.97329 9.10587 7.39275 numMergedOcc 0
14 mol 13 unq 2 iso 0 dist 7.56303 10.9053 8.43325 5.97329 9.10587 7.82977 numMergedOcc 0
15 mol 28 unq 0 iso 0 dist 6.69917 5.66714 7.28416 9.89267 9.72965 4.74049 numMergedOcc 0
16 mol 28 unq 1 iso 0 dist 6.69917 5.66714 7.28416 10.8377 5.63315 10.2179 numMergedOcc 0
17 mol 28 unq 2 iso 0 dist 6.69917 5.66714 7.28416 9.60903 9.8465 7.01194 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 9.32155 7.23774 8.44903 7.56926 7.31982 5.64171 numMergedOcc 0
19 mol 53 unq 0 iso 0 dist 7.61675 12.1831 7.09169 9.46892 4.75776 8.19773 numMergedOcc 0
20 mol 53 unq 1 iso 0 dist 9.64645 7.56636 7.09169 8.95538 4.75776 8.19773 numMergedOcc 0
21 mol 56 unq 0 iso 0 dist 6.59067 11.5896 8.63486 6.70602 6.91393 12.8132 numMergedOcc 0
22 mol 56 unq 1 iso 0 dist 6.59067 11.5896 8.63486 9.48435 8.40038 16.7219 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 9.26179 14.2704 8.03303 17.8038 8.58543 8.92736 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 7.56041 12.1948 5.88354 11.1848 7.63183 10.7735 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 7.56041 13.2435 7.89665 11.1848 7.63183 9.38161 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 7.56041 5.62353 5.39354 11.1848 7.63183 10.5878 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 7.56041 7.42934 5.74854 11.1848 7.63183 13.1711 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 7.56041 8.99607 8.76566 11.1848 7.63183 7.42291 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 7.56041 5.36136 8.8368 11.1848 7.63183 8.01486 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 5.82495 5.43987 7.23962 10.6597 9.74569 6.89221 numMergedOcc 0
31 mol 112 unq 1 iso 0 dist 5.82495 11.3454 9.00067 10.6597 9.74569 5.52645 numMergedOcc 0
32 mol 112 unq 2 iso 0 dist 5.82495 14.3588 9.89499 10.6597 9.74569 9.88449 numMergedOcc 0
33 mol 112 unq 3 iso 0 dist 5.82495 9.7695 7.30204 10.6597 9.74569 9.96887 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 9.2746 6.63018 7.99857 6.0453 8.03035 4.99056 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 9.2746 9.23197 8.56342 6.0453 8.03035 3.78311 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 9.89116 9.70986 7.77116 12.9632 8.03035 4.91132 numMergedOcc 0
37 mol 119 unq 3 iso 0 dist 9.89116 9.70986 7.77116 4.31572 7.6968 6.08167 numMergedOcc 0
38 mol 140 unq 0 iso 0 dist 9.62457 8.3808 5.39064 12.2348 6.98813 8.83949 numMergedOcc 0
39 mol 141 unq 0 iso 0 dist 6.78772 7.862 6.69515 11.7112 8.26172 9.76015 numMergedOcc 0
40 mol 141 unq 1 iso 0 dist 6.78772 5.64577 7.86572 11.7112 8.26172 8.24418 numMergedOcc 0
41 mol 154 unq 0 iso 0 dist 7.77159 14.466 7.72144 11.6972 9.71408 11.0347 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 8.63783 10.0792 9.43259 13.516 5.90883 10.7023 numMergedOcc 0
43 mol 156 unq 1 iso 0 dist 7.96867 6.205 9.31851 10.6551 4.9941 10.7975 numMergedOcc 0
44 mol 156 unq 2 iso 0 dist 7.96867 6.205 9.31851 13.516 8.06913 13.6634 numMergedOcc 0
45 mol 156 unq 3 iso 0 dist 7.96867 10.0792 6.2319 10.6551 4.9941 5.71107 numMergedOcc 0
46 mol 156 unq 4 iso 0 dist 7.96867 10.0792 6.2319 13.516 8.06913 10.7023 numMergedOcc 0
47 mol 156 unq 5 iso 0 dist 7.96867 13.8503 9.97732 10.6551 4.9941 11.2067 numMergedOcc 0
48 mol 156 unq 6 iso 0 dist 7.96867 13.8503 9.97732 13.516 8.06913 9.00862 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 6.52129 5.65307 5.52379 10.4401 9.89583 14.1055 numMergedOcc 0
50 mol 294 unq 0 iso 0 dist 9.99345 14.8586 7.91611 11.2327 7.41079 6.21267 numMergedOcc 0
