0 mol 1 unq 0 iso 0 dist 5.74199 6.2936 10.4951 7.28542 7.68226 10.0996 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.71924 8.9204 4.40181 5.3571 7.71617 9.41017 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 13.0891 9.07969 10.6893 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.04551 6.8073 6.62574 14.1866 9.61448 10.3169 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.04551 5.60663 9.48836 13.0891 9.07969 17.7727 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.04551 5.60663 9.48836 14.1866 9.61448 18.1196 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.01454 6.42242 6.98858 12.665 8.94842 10.6858 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.01454 6.42242 6.98858 14.1985 9.9555 10.7881 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.08228 9.23947 11.3115 7.91421 8.13162 15.4915 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.4438 6.82707 7.94629 4.93697 7.75341 8.4701 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.41952 7.99438 9.30887 8.12985 8.0318 14.9591 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.41952 6.64915 11.3722 8.12985 8.0318 14.7047 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 5.09341 7.77953 8.77355 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.67865 6.15654 9.52463 5.99325 8.67475 9.92987 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.67865 7.89887 6.07224 5.99325 8.67475 11.4716 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.954 6.80226 4.55978 8.39434 9.95076 11.6618 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 8.954 6.80226 4.55978 4.92282 7.76112 8.33407 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 16.6018 9.16535 19.3589 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.51118 9.87211 4.91904 7.01801 8.18029 11.8945 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 8.51118 6.3997 7.59634 7.01801 8.18029 11.022 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 4.58291 8.28295 5.47473 6.35535 9.12973 12.8472 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.57712 8.75712 11.317 7.47274 7.27248 12.8405 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 7.20255 8.75712 5.72178 7.47274 9.50216 12.8405 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 8.98362 8.32948 14.9758 4.606 9.21416 10.8716 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 6.03408 7.24878 4.89887 11.7563 8.85178 13.4343 numMergedOcc 0
25 mol 223 unq 1 iso 0 dist 6.03408 7.24878 4.89887 8.87398 9.73123 12.7212 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 13.0806 9.11418 9.9183 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.34832 6.91534 15.1473 3.28983 6.64008 8.95511 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 8.34832 8.67704 16.5164 3.28983 6.64008 11.3228 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 11.8733 8.42464 21.3304 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 8.42706 9.54381 15.3099 16.8963 9.97206 24.3613 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 5.78017 9.29922 13.4771 4.91802 8.9352 7.17958 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 8.78203 9.29922 12.7014 4.91802 5.8845 7.17958 numMergedOcc 0
