0 mol 8 unq 0 iso 0 dist 7.74386 6.17523 8.70858 11.1789 8.33226 8.99126 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 5.41248 7.0822 8.79697 4.92734 7.36147 8.33604 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 8.22232 9.21471 6.35021 17.0971 9.68915 9.53002 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.76925 5.92759 5.1736 5.00126 8.11238 7.45237 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.45473 10.3244 9.7198 14.0364 7.50148 7.04352 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 7.66362 4.96926 6.22308 12.1167 9.37982 8.33704 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 7.66362 4.96926 6.22308 11.2717 5.43139 7.92394 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 7.66362 6.6533 7.0495 11.2717 5.43139 9.93423 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 9.67574 6.82648 6.13833 8.40609 7.89966 7.79359 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 7.10886 5.10607 9.64421 12.1763 14.9517 7.51358 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 7.10886 5.10607 9.64421 12.1658 11.9144 8.32298 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 7.83828 5.10607 6.72471 12.1763 10.4977 7.51358 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 7.83828 5.10607 6.72471 12.1658 6.12372 8.32298 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.67941 5.27409 9.33819 12.9623 12.8158 8.68821 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 6.67941 5.27409 9.33819 7.23973 4.26125 7.12609 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 6.21554 6.1956 8.28884 11.7417 8.22558 9.12581 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 6.21554 6.1956 8.28884 9.77934 5.21262 8.74308 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.82274 13.5772 7.46812 19.9663 11.0256 7.92688 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.02712 12.1124 7.46812 15.5187 11.0256 7.92688 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 8.3622 7.441 9.77059 5.68636 8.78324 9.38946 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 9.84649 12.0052 8.55287 15.9841 6.89601 9.93083 numMergedOcc 0
21 mol 183 unq 1 iso 0 dist 9.84649 12.0052 8.55287 13.1917 8.16006 7.01383 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 7.89026 4.83589 9.3526 7.75394 6.51118 7.21533 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 4.42112 8.64687 7.48151 11.4732 7.71164 6.68292 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 4.42112 11.0747 8.58039 11.4732 7.71164 4.26212 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 5.07376 5.56344 7.26162 10.6043 8.00193 8.19953 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 8.96263 6.78064 9.89345 10.9817 12.8561 6.87664 numMergedOcc 0
27 mol 228 unq 0 iso 0 dist 8.09971 12.8927 8.2286 19.1823 12.8654 8.06181 numMergedOcc 0
28 mol 228 unq 1 iso 0 dist 8.09971 12.8927 8.2286 17.4569 9.81 8.38048 numMergedOcc 0
29 mol 228 unq 2 iso 0 dist 8.09971 12.8927 8.2286 12.8766 5.34643 7.65132 numMergedOcc 0
30 mol 228 unq 3 iso 0 dist 8.09971 12.8927 8.2286 20.7626 14.0156 8.53764 numMergedOcc 0
31 mol 228 unq 4 iso 0 dist 6.97798 11.9786 8.5965 17.5305 13.0265 7.77367 numMergedOcc 0
32 mol 228 unq 5 iso 0 dist 6.97798 11.9786 8.5965 16.089 10.0235 8.20909 numMergedOcc 0
33 mol 228 unq 6 iso 0 dist 6.97798 11.9786 8.5965 12.0258 5.34702 7.94506 numMergedOcc 0
34 mol 228 unq 7 iso 0 dist 6.97798 11.9786 8.5965 19.4086 14.0419 8.15494 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 6.72105 6.12197 9.94653 8.89211 10.8978 7.07392 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 6.72105 6.12197 9.94653 11.7774 10.9318 9.62952 numMergedOcc 0
37 mol 232 unq 2 iso 0 dist 7.96569 6.12197 7.97572 8.89211 10.4487 7.07392 numMergedOcc 0
38 mol 232 unq 3 iso 0 dist 7.96569 6.12197 7.97572 11.7774 9.66136 9.62952 numMergedOcc 0
39 mol 243 unq 0 iso 0 dist 8.1195 16.7945 8.75924 12.648 7.07529 8.61104 numMergedOcc 0
