0 mol 15 unq 0 iso 0 dist 8.0637 9.63035 8.9488 4.89563 5.69927 6.78983 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.58806 7.03345 12.5434 9.27448 7.15972 10.9099 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.58806 7.03345 12.5434 9.07927 12.1122 9.39124 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.58806 7.03345 12.5434 8.50987 14.3338 7.11047 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.58806 5.2296 9.57167 9.27448 7.15972 11.1747 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.58806 5.2296 9.57167 9.07927 12.1122 11.898 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.58806 5.2296 9.57167 8.50987 14.3338 10.7715 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.76383 9.49371 14.4027 5.17291 7.19147 7.84269 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 7.40481 6.38409 9.58693 8.91618 4.75433 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.3761 7.40481 6.38409 9.48388 12.3835 16.7643 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.84583 7.40481 12.4885 9.58693 12.9994 4.75433 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.84583 7.40481 12.4885 9.48388 4.96747 16.7643 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.08937 9.25746 6.24215 7.02792 3.9675 4.95357 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 8.8763 7.4713 10.1927 8.26309 9.45824 5.16546 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 8.8763 8.91952 12.8681 8.26309 9.45824 9.02414 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.56833 8.32304 11.4305 7.49404 5.6098 7.47571 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.22824 7.0128 9.69206 7.31419 5.73965 5.57177 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 8.05227 9.92707 12.2056 7.18765 7.56497 6.04016 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 8.05227 9.92707 12.2056 7.41091 5.66137 7.31611 numMergedOcc 0
19 mol 197 unq 2 iso 0 dist 8.05227 6.22734 10.3089 7.18765 7.56497 7.17757 numMergedOcc 0
20 mol 197 unq 3 iso 0 dist 8.05227 6.22734 10.3089 7.41091 5.66137 5.75906 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 6.02401 4.85533 4.36851 8.67044 4.70115 7.76105 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 8.73545 5.9677 8.98176 4.94074 6.52848 4.80704 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 8.14581 5.9677 9.65009 4.94074 5.51 4.80704 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 9.6748 9.87759 19.1894 8.19458 16.7618 7.84735 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 9.6748 9.87759 19.1894 9.45133 16.2753 9.66206 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 9.6748 6.0854 15.5949 8.19458 16.7618 7.07529 numMergedOcc 0
27 mol 243 unq 3 iso 0 dist 9.6748 6.0854 15.5949 9.45133 16.2753 9.86055 numMergedOcc 0
28 mol 243 unq 4 iso 0 dist 9.6748 7.86504 16.6342 8.19458 16.7618 4.67674 numMergedOcc 0
29 mol 243 unq 5 iso 0 dist 9.6748 7.86504 16.6342 9.45133 16.2753 5.00798 numMergedOcc 0
30 mol 243 unq 6 iso 0 dist 8.71177 9.87759 16.589 8.19458 11.0832 7.84735 numMergedOcc 0
31 mol 243 unq 7 iso 0 dist 8.71177 9.87759 16.589 9.45133 9.97025 9.66206 numMergedOcc 0
32 mol 243 unq 8 iso 0 dist 8.71177 6.0854 13.8791 8.19458 11.0832 7.07529 numMergedOcc 0
33 mol 243 unq 9 iso 0 dist 8.71177 6.0854 13.8791 9.45133 9.97025 9.86055 numMergedOcc 0
34 mol 243 unq 10 iso 0 dist 8.71177 7.86504 12.5627 8.19458 11.0832 4.67674 numMergedOcc 0
35 mol 243 unq 11 iso 0 dist 8.71177 7.86504 12.5627 9.45133 9.97025 5.00798 numMergedOcc 0
36 mol 270 unq 0 iso 0 dist 4.60602 6.17797 9.50342 9.02113 5.00269 13.1723 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.92426 5.37738 8.61682 5.37894 5.58906 8.31543 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 5.83023 5.37738 4.80425 5.37894 4.84657 8.31543 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 6.84909 8.23483 12.3921 6.02089 9.83514 5.08702 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 6.84909 8.23483 12.3921 6.87804 8.04474 11.5813 numMergedOcc 0
41 mol 292 unq 2 iso 0 dist 6.38051 9.21126 5.53215 6.07571 9.00118 8.50714 numMergedOcc 0
