0 mol 30 unq 0 iso 0 dist 8.51496 8.98564 5.58618 5.80534 8.7139 9.85891 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.51496 7.51725 7.28949 5.80534 8.7139 4.94024 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 8.79378 6.67753 9.44812 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.4486 7.32064 8.39195 8.48827 4.35598 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.4486 7.32064 8.39195 7.14048 5.50339 3.75261 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.4486 5.24136 7.90926 8.48827 4.35598 7.80916 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.4486 5.24136 7.90926 7.14048 5.50339 5.07608 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 9.4486 6.44687 11.1849 8.48827 4.35598 12.6024 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 9.4486 6.44687 11.1849 7.14048 5.50339 11.1395 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 9.4486 5.85007 7.71963 8.48827 4.35598 4.75637 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 9.4486 5.85007 7.71963 7.14048 5.50339 5.62063 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 9.00872 9.83579 7.0748 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.47416 8.57705 4.08868 9.00872 5.29018 7.0748 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 8.0255 8.57705 5.64395 9.00872 3.94064 7.0748 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.59552 9.68629 11.7168 6.04223 6.882 7.54661 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 9.68556 3.61204 17.213 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.25249 7.34638 11.5696 9.68556 3.61204 11.0062 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 6.3323 4.0719 3.54756 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 7.08403 3.52111 3.52445 numMergedOcc 0
19 mol 116 unq 0 iso 0 dist 7.6005 9.87191 3.82942 8.24233 4.13755 6.16979 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 8.97414 8.8681 6.06538 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 8.90876 9.23064 12.6805 8.00063 5.71136 13.0096 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 8.90876 7.30338 4.02702 8.97414 8.8681 9.99868 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 8.90876 7.30338 4.02702 8.00063 5.71136 3.5168 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 5.51388 6.27683 3.95773 7.33643 3.83687 3.59996 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 7.91434 6.00783 5.52164 7.50458 14.0793 9.60496 numMergedOcc 0
26 mol 169 unq 2 iso 0 dist 7.91434 6.00783 5.52164 5.79554 13.629 10.5251 numMergedOcc 0
27 mol 169 unq 3 iso 0 dist 7.91434 6.00783 5.52164 4.22003 11.1464 8.67112 numMergedOcc 0
28 mol 169 unq 4 iso 0 dist 7.79437 6.00783 8.86736 7.50458 14.1141 9.60496 numMergedOcc 0
29 mol 169 unq 5 iso 0 dist 7.79437 6.00783 8.86736 5.79554 13.1539 10.5251 numMergedOcc 0
30 mol 169 unq 6 iso 0 dist 7.79437 6.00783 8.86736 4.22003 11.6489 8.67112 numMergedOcc 0
31 mol 171 unq 0 iso 0 dist 6.80086 6.51523 5.3374 7.06555 3.72812 7.20382 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 9.10344 5.69882 3.30691 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 8.93485 9.43113 6.49396 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 5.66636 9.43113 6.49396 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 8.86587 8.69512 16.7363 5.66636 9.43113 8.93955 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 4.90656 3.98604 10.1968 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 9.32543 8.86886 16.6736 4.90656 7.99695 10.1968 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 5.79898 9.11416 5.30519 5.16859 10.1665 12.3227 numMergedOcc 0
39 mol 244 unq 1 iso 0 dist 5.79898 9.11416 5.30519 4.79207 5.68434 7.21693 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 9.82713 8.87313 10.6981 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 6.83113 4.97796 5.39432 9.82713 6.97575 10.6981 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 9.44134 4.97796 10.7442 9.82713 9.92055 10.6981 numMergedOcc 0
43 mol 278 unq 0 iso 0 dist 6.81257 9.54428 5.08871 9.93392 6.89604 3.20775 numMergedOcc 0
