0 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.5249 8.80331 6.6263 13.1618 9.06158 4.55347 9.93832 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 10.4413 6.20293 6.75943 13.1618 9.06158 4.55347 8.60739 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.33532 9.65964 13.3074 4.67358 9.03317 9.34622 6.54023 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 6.77833 5.4014 8.20805 5.33532 9.65964 10.4272 4.67358 9.03317 5.89735 6.54023 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 9.83265 9.19079 12.7012 7.6455 9.65964 13.3074 9.29779 9.03317 9.34622 6.54023 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 9.83265 8.37742 8.20805 7.6455 9.65964 10.4272 9.29779 9.03317 5.89735 6.54023 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 6.31237 8.97936 4.50272 6.26149 7.89459 12.2268 7.63006 5.60279 6.05851 9.97569 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.79157 7.96353 10.7951 13.0109 9.86662 19.209 5.8367 5.12325 11.1905 8.20836 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 13.8395 9.35627 4.71678 9.77552 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 10.5295 6.70283 6.70693 13.8395 9.35627 4.71678 8.28642 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 8.34839 9.83462 4.84714 5.65129 8.56324 8.9192 13.8395 9.35627 7.11377 9.77552 numMergedOcc 0
11 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 10.5295 6.70283 9.27706 13.8395 9.35627 7.11377 8.28642 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 6.184 9.96154 12.632 5.36962 4.46081 8.18087 8.47347 numMergedOcc 0
13 mol 188 unq 1 iso 0 dist 8.67271 6.32826 6.47015 6.184 9.96154 10.9261 5.36962 4.46081 5.51589 8.47347 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 11.2069 8.82096 13.7978 16.5763 10.2399 18.1144 8.46327 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 6.52416 8.22528 7.27993 14.0993 11.6847 6.93188 8.92743 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 6.52416 8.22528 10.3243 14.0993 11.6847 13.6257 8.92743 numMergedOcc 0
17 mol 229 unq 2 iso 0 dist 6.88694 9.90415 7.22525 6.52416 7.03423 7.27993 14.0993 9.62106 6.93188 8.92743 numMergedOcc 0
18 mol 229 unq 3 iso 0 dist 6.88694 6.92268 4.92403 6.52416 7.03423 10.3243 14.0993 9.62106 13.6257 8.92743 numMergedOcc 0
19 mol 229 unq 4 iso 0 dist 8.53615 5.96615 5.70473 6.81165 8.22528 7.27993 10.3106 11.6847 6.93188 8.92743 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 12.8358 6.27581 15.106 9.33359 7.00028 8.32937 8.50331 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 7.63032 7.69895 10.6429 9.08064 5.99459 8.29191 6.17052 numMergedOcc 0
22 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 6.42334 7.21521 10.9783 9.08064 5.99459 8.29191 9.77666 numMergedOcc 0
