0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 13.5785 6.0225 9.72725 17.1275 10.9078 7.41411 8.27602 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 10.8355 4.96926 6.75943 15.3559 12.49 10.2523 9.23033 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 5.5249 8.80331 8.74209 5.41726 6.6263 12.1846 13.3486 6.6796 9.23033 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 8.74209 5.41726 6.75943 12.1846 13.3486 10.2523 9.23033 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 13.9129 8.80331 10.8355 5.41726 6.6263 15.3559 13.3486 6.6796 9.23033 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 10.8355 5.41726 6.75943 15.3559 13.3486 10.2523 9.23033 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 6.78532 5.84171 8.93915 10.8355 10.0383 6.75943 15.3559 17.9394 10.2523 9.23033 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 5.48831 10.5933 9.78528 9.20886 7.07356 7.66093 9.75355 12.2812 7.06403 9.86502 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 10.3799 4.46885 8.3773 11.4622 4.98104 10.7572 8.67475 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.3558 15.1474 7.4729 11.6676 4.46885 8.3773 5.38868 4.98104 10.7572 8.67475 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 11.8017 13.1926 7.36975 6.21473 9.73212 4.98373 6.45477 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 9.83462 4.84714 8.9192 5.80854 9.10619 9.66339 8.78112 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 10.9114 6.42973 7.06025 6.1397 8.0974 12.2822 6.95432 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 12.7518 6.37342 5.29737 7.69491 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 18.1323 15.8376 11.4465 6.64008 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 12.6512 5.71505 8.69318 14.3788 10.6972 5.14134 8.07313 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 11.6204 4.58289 9.05018 11.0674 8.71859 4.53213 7.90773 numMergedOcc 0
