0 mol 1 unq 0 iso 0 dist 5.74199 8.69605 10.4572 6.2936 10.4951 5.19589 7.28542 7.68226 12.6842 10.0996 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 8.9204 4.40181 7.29489 5.3571 7.71617 9.78134 9.41017 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 12.665 8.94842 7.34325 10.6858 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 14.1985 9.9555 6.42037 10.7881 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 9.23947 11.3115 8.95689 7.91421 8.13162 7.11238 15.4915 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.4438 7.58027 9.96367 6.82707 7.94629 12.5165 4.93697 7.75341 10.2801 8.4701 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.4438 4.34694 9.65371 6.82707 7.94629 10.5011 4.93697 7.75341 7.47162 8.4701 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 8.12985 8.0318 7.318 14.9591 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 8.12985 8.0318 7.318 14.7047 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 6.93893 9.0185 5.06999 5.09341 7.77953 9.84288 8.77355 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 6.80226 4.55978 4.93161 8.39434 9.95076 12.4652 11.6618 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 8.954 6.59407 7.84996 6.80226 4.55978 4.93161 4.92282 7.76112 9.44259 8.33407 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 4.58291 8.51153 3.96154 8.28295 5.47473 5.3597 6.35535 9.12973 12.7107 12.8472 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 8.75712 11.317 10.8928 7.47274 7.27248 12.2711 12.8405 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 8.75712 11.317 4.03653 7.47274 7.27248 13.0124 12.8405 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 8.75712 5.72178 10.8928 7.47274 9.50216 12.2711 12.8405 numMergedOcc 0
16 mol 220 unq 3 iso 0 dist 7.20255 8.6368 8.70221 8.75712 5.72178 4.03653 7.47274 9.50216 13.0124 12.8405 numMergedOcc 0
17 mol 220 unq 4 iso 0 dist 8.98362 6.50756 5.82963 8.32948 14.9758 11.1785 4.606 9.21416 9.5745 10.8716 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 6.91534 15.1473 9.08479 3.28983 6.64008 9.993 8.95511 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.34832 8.48545 14.2079 8.67704 16.5164 5.88166 3.28983 6.64008 9.993 11.3228 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 9.97458 16.0237 16.3 11.8733 8.42464 11.2389 21.3304 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 9.97458 16.0237 4.89551 11.8733 8.42464 19.6201 21.3304 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.42706 8.8646 3.93133 9.54381 15.3099 14.5123 16.8963 9.97206 13.2182 24.3613 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 9.29922 13.4771 15.4124 4.91802 8.9352 8.34313 7.17958 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 9.29922 12.7014 15.4124 4.91802 5.8845 8.34313 7.17958 numMergedOcc 0
