0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 16.0229 9.48085 12.7147 9.23015 5.63212 7.44277 10.156 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 6.65242 6.24711 3.39994 5.39587 4.55481 7.01952 4.58552 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 10.0272 7.18022 3.39994 5.39587 4.55481 4.58552 7.01952 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 11.7176 10.4274 8.05579 12.9299 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.42474 6.59976 5.56994 4.9759 9.05166 5.11 10.281 6.09562 7.31064 11.6819 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.84656 15.9796 7.93372 14.2595 9.33924 11.4107 14.395 10.8635 8.62504 15.9693 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 8.31276 6.67639 9.10524 4.72407 6.42772 7.62195 7.96353 15.3018 8.14226 11.4619 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 5.79157 7.97297 8.69531 4.72407 9.1998 5.83782 8.8437 4.00092 8.62504 11.2397 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 5.50687 4.4987 5.35237 4.72407 8.70621 6.05407 7.96353 5.4761 5.78982 11.4619 numMergedOcc 0
9 mol 134 unq 4 iso 0 dist 8.94541 8.17498 9.00918 10.9758 7.99477 4.87973 9.05409 5.03507 8.14226 5.78982 numMergedOcc 0
10 mol 134 unq 5 iso 0 dist 8.94541 10.9758 7.99477 8.17498 9.00918 4.87973 9.05409 5.03507 5.78982 8.14226 numMergedOcc 0
11 mol 134 unq 6 iso 0 dist 7.30919 6.67639 9.00918 4.4987 7.99477 4.87973 7.96353 5.03507 8.14226 5.78982 numMergedOcc 0
12 mol 134 unq 7 iso 0 dist 7.30919 4.4987 7.99477 6.67639 9.00918 4.87973 7.96353 5.03507 5.78982 8.14226 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 5.21803 4.6728 7.37333 7.06734 7.45998 3.77838 9.71155 5.65603 9.43904 7.01095 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 5.21803 7.06734 7.45998 4.6728 7.37333 3.77838 9.71155 5.65603 7.01095 9.43904 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 7.69814 9.73548 16.8666 12.7386 9.61454 6.69042 18.0623 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 5.30128 6.50998 13.7858 16.033 6.28241 6.46405 12.7232 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 9.93754 15.2642 8.14831 7.291 9.09424 11.2712 16.033 6.28241 6.46405 13.9849 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 7.80612 11.091 7.10671 8.97902 8.67156 6.67199 12.6512 5.71505 8.20943 12.9457 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 8.53324 10.3171 5.46926 10.6814 5.13913 3.39114 9.22453 4.40029 7.16209 4.62936 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.53324 10.6814 5.13913 10.3171 5.46926 3.39114 9.22453 4.40029 4.62936 7.16209 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 7.23956 10.3171 8.9682 8.60807 9.35539 16.9644 9.22453 3.97543 7.16209 13.0595 numMergedOcc 0
22 mol 277 unq 3 iso 0 dist 7.23956 10.3171 8.9682 10.6814 6.92711 3.39114 9.22453 3.97543 7.16209 4.62936 numMergedOcc 0
23 mol 277 unq 4 iso 0 dist 7.23956 10.6814 6.92711 8.60807 9.35539 15.8851 9.22453 3.97543 4.62936 13.0595 numMergedOcc 0
24 mol 277 unq 5 iso 0 dist 7.23956 10.6814 6.92711 10.3171 8.9682 3.39114 9.22453 3.97543 4.62936 7.16209 numMergedOcc 0
25 mol 277 unq 6 iso 0 dist 8.66941 5.04761 5.46926 8.42957 5.13913 3.39114 11.6275 4.40029 7.16209 4.62936 numMergedOcc 0
26 mol 277 unq 7 iso 0 dist 8.66941 8.42957 5.13913 5.04761 5.46926 3.39114 11.6275 4.40029 4.62936 7.16209 numMergedOcc 0
