0 mol 26 unq 0 iso 0 dist 8.6112 9.27369 10.5687 10.2609 14.5062 6.46104 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.6112 9.27369 10.5687 8.18809 14.2765 7.36856 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.5915 4.38047 12.377 6.76462 11.4465 6.14538 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.16403 5.93987 3.56424 4.73713 10.1525 8.18107 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.16403 5.93987 3.56424 4.36394 12.768 9.8859 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 9.16403 7.7913 10.4698 4.73713 10.1525 5.9465 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 9.16403 7.7913 10.4698 4.36394 12.768 6.97962 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 9.16403 7.7913 10.4698 14.0487 16.3902 9.95342 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 9.59503 5.93987 12.49 4.73713 8.4545 8.18107 numMergedOcc 0
9 mol 92 unq 6 iso 0 dist 9.59503 5.93987 12.49 4.36394 7.01176 9.8859 numMergedOcc 0
10 mol 92 unq 7 iso 0 dist 9.59503 7.7913 4.1125 4.73713 8.4545 5.9465 numMergedOcc 0
11 mol 92 unq 8 iso 0 dist 9.59503 7.7913 4.1125 4.36394 7.01176 6.97962 numMergedOcc 0
12 mol 92 unq 9 iso 0 dist 9.59503 7.7913 4.1125 14.0487 11.7125 9.95342 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.36326 9.49995 10.2414 5.69671 12.7234 9.49454 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 14.0364 8.89481 9.66219 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.12336 6.42904 10.2948 6.26797 9.50322 9.22661 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 7.12336 6.72323 12.6435 10.2385 15.5083 6.16242 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 7.12336 6.72323 12.6435 4.64588 11.5178 5.87634 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 5.91683 15.3277 9.87644 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 7.5447 9.62943 14.0837 4.12904 11.6021 9.07943 numMergedOcc 0
20 mol 163 unq 1 iso 0 dist 9.04757 9.62943 6.09134 4.12904 9.63873 9.07943 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 12.1014 13.3351 7.44629 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.59783 6.21194 4.98945 9.22906 6.07091 9.61462 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 9.47799 10.6635 8.90963 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 9.09989 10.6635 8.90963 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 9.5523 9.37017 5.23385 4.04545 10.1087 8.10214 numMergedOcc 0
26 mol 226 unq 0 iso 0 dist 9.37229 7.04477 13.3145 10.0275 19.2632 8.80683 numMergedOcc 0
27 mol 226 unq 1 iso 0 dist 9.37229 7.04477 13.3145 5.47434 14.5574 6.11704 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 5.86679 8.55613 5.40441 11.7757 11.9954 7.49645 numMergedOcc 0
29 mol 243 unq 1 iso 0 dist 5.86679 8.55613 5.40441 11.9474 13.073 9.9222 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 11.6777 7.65388 5.50492 numMergedOcc 0
31 mol 244 unq 1 iso 0 dist 5.65248 7.33574 4.38246 7.45211 7.65388 5.50492 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.40339 6.58109 4.20164 9.9244 6.37672 5.48118 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 6.40339 6.58109 4.20164 9.9973 9.83485 7.25858 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.37512 8.63176 5.32742 8.27707 9.59174 9.63959 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 8.37512 8.63176 5.32742 13.5559 14.8786 9.96262 numMergedOcc 0
36 mol 258 unq 2 iso 0 dist 8.37512 8.63176 5.32742 6.48867 9.98141 7.21311 numMergedOcc 0
