0 mol 69 unq 0 iso 0 dist 9.16791 7.21134 10.1031 9.91575 8.44753 13.3712 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 6.57452 7.21134 9.81292 6.39837 7.33546 12.9676 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 8.45341 9.32256 7.36782 11.4158 7.18799 11.9644 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 8.45341 9.32256 7.36782 9.68657 8.4254 7.19148 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 6.7095 9.16431 10.2581 10.2573 6.37194 16.306 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.60412 8.59103 4.57343 5.26707 9.25371 10.3442 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.11102 8.54304 11.5247 7.91188 7.82151 10.1226 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 9.82711 6.6014 7.90985 6.33346 9.30597 10.9498 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 5.96435 8.88633 7.90985 3.7718 9.30597 10.9498 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.65807 9.47287 5.23445 10.9875 6.5114 11.5554 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.58174 7.59666 5.9546 8.01881 7.5696 11.6732 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 6.58174 6.51936 5.9943 8.01881 7.5696 12.2344 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 7.95918 8.19223 7.37194 9.01244 9.94532 12.2985 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 6.85288 9.88022 7.38256 5.00251 5.00402 9.813 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 6.85288 7.26637 5.37778 5.00251 5.00402 6.63442 numMergedOcc 0
15 mol 279 unq 2 iso 0 dist 6.85288 9.88198 15.8183 5.00251 5.00402 13.9321 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 4.49395 7.12723 5.62841 12.8183 8.73607 12.6167 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 7.26887 7.46806 4.17974 5.2943 9.20553 6.98961 numMergedOcc 0
