0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 4.30113 9.76779 9.64738 7.15287 13.8674 8.41585 10.3279 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 5.83658 4.92824 13.9246 7.7393 8.23909 10.826 13.7022 9.60499 13.823 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 7.67076 7.54797 8.73627 4.15151 8.39221 6.38364 9.18933 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 4.55916 9.65404 10.1088 9.01721 13.1233 7.82074 7.62549 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 10.3859 9.40633 12.1173 4.99061 6.49205 6.18601 6.83988 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 13.0852 8.99696 11.3921 6.3915 9.32441 5.99315 11.2897 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 15.8912 9.58724 7.31105 10.6943 9.8711 9.23153 14.6296 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 15.8912 9.58724 7.31105 15.396 12.6756 8.24498 9.52692 numMergedOcc 0
8 mol 223 unq 0 iso 0 dist 5.75896 9.94212 7.19485 6.5658 7.22882 12.0329 11.4946 9.5211 8.77153 8.44393 numMergedOcc 0
9 mol 223 unq 1 iso 0 dist 5.75896 9.94212 7.19485 6.5658 7.22882 12.0329 13.1422 13.3416 8.6166 13.7841 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 6.63295 8.23071 12.5309 11.7724 14.4547 9.40098 17.838 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 6.6537 7.04127 6.46679 6.63295 8.23071 12.5309 4.55824 9.75313 6.61986 10.9485 numMergedOcc 0
12 mol 224 unq 2 iso 0 dist 9.08719 7.04127 7.85135 7.00684 9.79842 12.3897 11.7724 13.1222 9.40098 14.1159 numMergedOcc 0
13 mol 224 unq 3 iso 0 dist 9.08719 7.04127 7.85135 7.00684 9.79842 12.3897 4.55824 6.08709 6.61986 6.06244 numMergedOcc 0
14 mol 224 unq 4 iso 0 dist 7.62593 4.79841 5.41021 6.4556 5.90784 6.56437 11.4653 9.33771 8.95269 14.2632 numMergedOcc 0
15 mol 224 unq 5 iso 0 dist 7.62593 4.79841 5.41021 7.70922 8.50322 9.53131 11.4653 9.33771 8.95269 9.59595 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 5.05272 5.80702 10.7862 16.581 19.9111 9.02271 19.7492 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 9.0655 7.66806 17.0459 9.78068 15.2652 6.42289 15.3196 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 9.68247 6.13752 10.8647 10.908 6.77279 8.13497 6.59107 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 9.68247 6.13752 10.8647 12.7595 9.58006 7.88519 11.1778 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 6.13416 9.50269 9.62828 6.5875 10.2386 8.02547 10.5691 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 6.13416 9.50269 13.3636 6.5875 10.2386 6.05727 10.5691 numMergedOcc 0
