0 mol 92 unq 0 iso 0 dist 9.96446 12.0126 5.42067 10.868 4.73713 5.04673 17.8732 10.1525 5.87274 9.16403 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 9.96446 12.0126 5.42067 10.868 4.73713 5.04673 5.27016 8.4545 8.46944 9.59503 numMergedOcc 0
2 mol 92 unq 2 iso 0 dist 6.70686 12.0126 7.36435 10.868 4.36394 5.04673 17.8732 12.768 5.87274 9.16403 numMergedOcc 0
3 mol 92 unq 3 iso 0 dist 6.70686 12.0126 7.36435 10.868 4.36394 5.04673 5.27016 7.01176 8.46944 9.59503 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.70016 13.586 9.59585 12.6644 4.36935 9.86767 16.5593 10.783 3.77247 9.64281 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 5.06555 8.14689 6.42623 10.792 5.89379 9.16089 8.75149 7.04864 4.74539 8.43293 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 7.75045 10.9436 8.16252 9.04436 4.12904 9.37245 14.0285 11.6021 15.4278 7.5447 numMergedOcc 0
7 mol 163 unq 1 iso 0 dist 7.75045 10.9436 8.16252 9.04436 4.12904 9.37245 4.49316 9.63873 13.5948 9.04757 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 6.28961 12.9917 9.37946 9.19569 4.34424 9.58901 14.3008 11.0485 3.89732 9.83308 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.09874 14.1844 9.70481 13.9024 8.58814 8.17301 14.0799 9.58911 3.55808 5.75545 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.09874 14.1844 9.70481 13.9024 8.58814 8.17301 16.1361 12.7453 6.33098 8.86645 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 9.23836 6.17727 4.67869 11.1899 4.57882 6.10505 13.7266 6.25429 7.96489 7.556 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.58471 8.19655 6.85824 11.8094 3.84723 9.25184 15.7052 11.8313 12.162 9.718 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 8.58471 8.19655 6.85824 11.8094 3.84723 9.25184 15.41 10.4825 9.9492 8.61629 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 7.94344 10.313 9.06459 10.3357 5.67031 9.68612 5.58634 4.84709 6.62122 8.80167 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.8128 9.83176 8.08965 11.9334 5.23741 8.1174 12.3178 9.11256 3.76405 8.92054 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 9.82717 13.8352 5.03601 9.33149 4.16039 5.28731 14.8277 12.0919 10.1123 8.12306 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 8.33653 7.52611 5.03601 11.4425 4.16039 5.28731 17.411 12.0919 10.1123 8.12306 numMergedOcc 0
18 mol 285 unq 2 iso 0 dist 6.44657 5.32175 5.03601 5.77107 4.16039 5.28731 9.78456 12.0919 10.1123 8.12306 numMergedOcc 0
