0 mol 12 unq 0 iso 0 dist 9.99955 6.6051 11.9718 10.1259 9.78092 8.15864 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.78092 8.15864 11.9718 10.1259 9.99955 6.6051 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 7.99091 7.44828 9.147 9.9897 14.5191 8.74487 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.79678 8.84944 4.22382 12.0149 11.2099 7.21995 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 4.52157 8.64686 9.88522 12.6473 16.1311 8.61089 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.08036 9.19171 13.8836 7.88461 13.1104 6.08846 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.74278 5.79195 8.17831 12.1681 16.0524 9.2759 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.74278 5.79195 8.17831 9.34083 8.08807 8.76088 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.54607 5.79195 11.5137 12.1681 19.5737 9.2759 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 8.54607 5.79195 11.5137 9.34083 11.9543 8.76088 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 8.08807 8.76088 8.17831 9.34083 7.74278 5.79195 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 8.08807 8.76088 8.17831 11.2107 16.0524 9.2759 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.35707 7.77669 6.00504 11.1772 14.5999 8.94921 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 7.74717 7.21397 14.5599 11.6064 18.5991 9.8755 numMergedOcc 0
14 mol 165 unq 1 iso 0 dist 7.74717 7.21397 14.5599 8.33453 14.8243 8.46714 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 9.95547 9.11481 13.7959 6.11195 13.5524 7.41092 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.30469 7.30813 4.40729 4.6893 9.77407 7.03107 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 8.22267 8.27913 9.4786 9.61687 15.921 8.85111 numMergedOcc 0
18 mol 182 unq 1 iso 0 dist 8.22267 8.27913 9.4786 11.427 12.1334 6.38335 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.45234 6.39087 5.9596 6.99846 11.4496 9.86144 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 8.37469 8.57174 6.77956 12.1405 13.4196 6.80214 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.31156 6.23677 6.16829 5.49559 13.98 9.04741 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.31156 6.23677 6.16829 5.92863 12.3798 7.31608 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 9.16575 5.07895 4.24715 6.53265 11.1779 8.51703 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 8.48012 9.39714 8.68495 13.1611 10.835 6.57444 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 6.88553 9.76967 13.219 11.8293 16.1963 8.83076 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.53155 9.28067 9.90768 7.89565 12.7588 5.71075 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 8.92124 5.71075 6.69432 7.89565 15.3758 9.28067 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 9.15753 6.42608 11.0181 6.3489 13.0736 4.72125 numMergedOcc 0
29 mol 293 unq 1 iso 0 dist 9.15753 6.42608 11.0181 5.34794 12.5645 7.41524 numMergedOcc 0
