0 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 8.66248 9.41655 12.089 6.86014 6.00575 5.69214 7.49157 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 7.95042 4.47891 6.73521 6.803 10.4905 6.86014 6.00575 5.69214 7.73794 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.44903 6.66407 4.69849 9.80379 9.82307 12.2699 10.5523 7.05402 10.8828 7.39848 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 6.35793 9.34689 5.92828 11.5121 10.0814 6.95317 6.87434 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 6.35793 9.34689 9.1247 11.5121 10.0814 7.57713 6.87434 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 6.47042 8.47988 8.90959 4.69658 9.34689 5.92828 7.71338 10.0814 6.95317 6.87434 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 6.47042 8.0427 4.4941 4.69658 9.34689 9.1247 7.71338 10.0814 7.57713 6.87434 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.4816 7.62197 12.3503 14.5183 9.3046 14.443 4.80684 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 10.4816 7.62197 12.3503 16.5596 15.2217 19.5769 7.60162 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.56342 7.64052 6.29394 13.2169 7.62197 12.3503 16.7981 9.3046 14.443 4.80684 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.56342 7.64052 6.29394 13.2169 7.62197 12.3503 19.8284 15.2217 19.5769 7.60162 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 6.75249 7.22 11.7801 5.99315 12.7056 13.1926 8.64905 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.41611 5.40637 6.16103 6.75249 7.22 6.60366 5.99315 12.7056 7.39837 8.64905 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 10.6994 7.34557 8.60651 10.399 5.70788 4.94983 6.79114 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 10.6994 7.34557 11.544 10.399 5.70788 5.97582 6.79114 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 4.68615 7.34557 8.60651 5.87555 5.70788 4.94983 6.79114 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 8.36988 9.12454 12.3849 15.173 8.41716 13.0302 9.84566 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 8.77887 6.73504 6.19242 8.36988 9.12454 11.4796 15.173 8.41716 13.8904 9.84566 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 10.1632 8.98941 13.8982 10.3145 5.7776 11.7657 6.1896 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 6.67144 6.45381 12.5462 10.3145 5.7776 11.7657 6.09255 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 5.76954 7.33709 6.57708 13.1733 8.98941 13.8982 10.9501 5.7776 11.7657 6.1896 numMergedOcc 0
21 mol 218 unq 3 iso 0 dist 5.76954 7.33709 6.57708 8.38909 6.45381 12.5462 10.9501 5.7776 11.7657 6.09255 numMergedOcc 0
22 mol 218 unq 4 iso 0 dist 9.20961 6.67404 6.57708 15.3828 8.98941 13.8982 14.7187 5.7776 11.7657 6.1896 numMergedOcc 0
23 mol 218 unq 5 iso 0 dist 9.20961 6.67404 6.57708 12.4463 6.45381 12.5462 14.7187 5.7776 11.7657 6.09255 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 9.93981 8.38453 9.81261 12.6348 8.24423 12.2555 8.55044 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 14.3711 8.78893 21.0741 14.715 8.24238 22.6347 5.72327 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.57903 9.57499 14.6871 14.3711 8.78893 21.0741 18.9397 12.5663 25.8134 5.81301 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.57903 9.57499 14.6871 14.3711 8.78893 21.0741 20.0719 13.5192 26.9703 9.81201 numMergedOcc 0
