0 mol 4 unq 0 iso 0 dist 9.15878 7.64358 5.93454 4.01547 7.29079 3.76531 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.73363 4.04528 5.56687 4.10415 9.54171 5.54542 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 5.07106 4.71264 8.07997 3.82644 5.42426 3.28726 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 5.02642 6.70122 6.02472 9.83606 7.44805 3.57198 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.04514 13.4485 9.48288 14.436 8.52681 5.39812 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.04514 13.4485 9.48288 12.7654 9.98769 3.59761 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 9.14072 13.7632 9.16212 12.884 9.40291 3.60121 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 9.14072 13.7632 9.16212 14.5015 7.94814 5.37655 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 9.14072 13.7632 9.16212 16.2483 9.55632 8.48119 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 6.77845 10.4266 5.68212 5.31562 5.13041 8.98065 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 5.48555 7.34738 5.68212 8.56578 5.13041 8.98065 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 5.39805 6.63513 5.68212 3.7497 5.13041 8.98065 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 8.87089 8.09473 8.20319 4.56066 5.60174 5.46401 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.17814 10.009 7.7461 8.48716 9.58166 3.90693 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.17814 6.31817 9.53985 8.48716 9.58166 4.86681 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 9.14434 15.9635 7.7461 16.3356 9.58166 3.90693 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 9.14434 16.1901 9.53985 16.3356 9.58166 4.86681 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 8.65008 9.10645 8.60004 11.9194 8.76245 4.03185 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 9.63241 9.96973 9.41943 3.36546 9.54118 11.7621 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 5.60956 6.62718 5.24076 3.56227 5.64732 8.8681 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 5.60956 6.62718 5.24076 3.96437 5.52214 3.73181 numMergedOcc 0
21 mol 168 unq 2 iso 0 dist 5.60956 6.62718 5.24076 6.15982 5.80055 5.71136 numMergedOcc 0
22 mol 168 unq 3 iso 0 dist 5.60956 6.62718 5.24076 5.33789 7.44481 5.46307 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 6.09291 8.92988 5.82321 4.24401 6.27378 6.28646 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 9.76796 9.36083 5.82321 9.223 6.27378 6.28646 numMergedOcc 0
25 mol 169 unq 2 iso 0 dist 9.90583 6.9276 5.82321 9.35916 6.27378 6.28646 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 6.60418 5.04427 8.14167 11.5164 9.19939 8.66075 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.36789 4.11297 8.91143 12.2056 8.92335 14.9837 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 9.78743 7.02086 8.29166 16.7863 7.97601 13.9248 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 9.78743 14.0195 8.14859 16.7863 7.97601 6.73951 numMergedOcc 0
30 mol 192 unq 2 iso 0 dist 9.78743 11.153 5.62421 16.7863 7.97601 6.53644 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 8.12934 4.37504 9.78347 6.43635 8.06847 3.95528 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 7.20629 5.30641 6.85515 5.33407 9.8976 3.98045 numMergedOcc 0
33 mol 233 unq 1 iso 0 dist 7.20629 5.30641 6.85515 9.06901 7.97911 4.17755 numMergedOcc 0
34 mol 233 unq 2 iso 0 dist 9.44671 8.39532 6.85515 10.6613 9.8976 3.98045 numMergedOcc 0
35 mol 233 unq 3 iso 0 dist 9.44671 8.39532 6.85515 4.45501 7.97911 4.17755 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 7.15878 10.2859 8.99609 9.98527 4.37138 7.18773 numMergedOcc 0
37 mol 239 unq 1 iso 0 dist 7.15878 13.8807 8.09656 9.98527 4.37138 4.37918 numMergedOcc 0
