0 mol 55 unq 0 iso 0 dist 9.95327 13.3028 9.93096 4.9076 8.70598 10.7467 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.50825 5.78969 9.93096 12.4379 8.70598 10.7467 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 9.34193 13.1258 8.97364 7.32774 6.63448 5.85676 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.34966 9.80391 6.74766 4.58473 7.98985 12.5617 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.91141 5.23492 8.87464 9.26069 8.96616 5.29727 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.91141 5.23492 8.87464 6.25278 6.14542 3.85385 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 5.79841 15.4219 9.66222 7.43838 5.05893 11.0952 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 5.79841 15.4219 9.66222 6.41855 5.71866 12.5181 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.76109 5.15472 8.74378 10.3243 9.19977 11.7638 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.0955 5.15472 8.89417 10.3243 7.28831 11.7638 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.0955 9.30737 9.95255 10.3243 7.28831 5.93472 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.69961 9.59885 7.80873 11.4567 8.72725 8.72143 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.69961 9.59885 7.80873 11.4288 6.11407 5.08111 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.35385 7.20376 6.75376 7.04886 9.27009 6.93828 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.35864 7.20376 9.10042 14.9912 6.65731 14.0725 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 8.35864 10.1764 9.75059 14.9912 6.65731 13.1981 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 8.35864 14.3045 6.83404 14.9912 6.65731 3.98068 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 5.0207 8.44389 7.54099 10.6375 7.58375 4.67256 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.99783 12.9926 9.36796 8.93457 9.8428 5.80651 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.32649 7.31769 9.73541 15.5092 9.23863 10.7405 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.6069 5.32064 8.37739 7.30721 6.94762 3.94409 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.6069 5.32064 8.37739 5.22792 9.89167 8.31193 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.6069 6.76978 9.47237 7.30721 6.94762 6.88465 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 6.6069 6.76978 9.47237 5.22792 9.89167 6.8122 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 6.23146 13.2043 9.8664 11.433 6.59036 4.68548 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.86251 11.1737 6.94789 7.19464 7.39085 14.2323 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 7.40057 10.7996 6.33496 11.2926 6.85663 8.60707 numMergedOcc 0
27 mol 256 unq 1 iso 0 dist 7.40057 6.82173 6.00636 11.2926 6.85663 9.39697 numMergedOcc 0
28 mol 256 unq 2 iso 0 dist 7.40057 14.0229 7.81448 11.2926 6.85663 4.05082 numMergedOcc 0
29 mol 256 unq 3 iso 0 dist 7.40057 15.2736 8.54499 11.2926 6.85663 6.63324 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.30714 8.44509 7.75216 12.0951 7.77765 13.9324 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.30714 8.44509 7.75216 16.7767 9.65868 10.7442 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 9.02661 14.7933 6.88827 4.89003 8.60027 13.3632 numMergedOcc 0
33 mol 274 unq 3 iso 0 dist 9.02661 7.09841 9.16942 4.89003 8.60027 5.39432 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 5.92532 5.10104 8.20644 13.3706 9.26157 16.0346 numMergedOcc 0
