0 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.302 9.85726 11.0773 13.6771 10.4728 8.72114 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 13.6771 12.8055 8.72114 13.8829 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 5.43401 9.0361 8.17186 7.49575 9.10229 7.36792 13.32 11.7662 8.31932 7.42011 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 4.99061 6.49205 6.18601 5.00632 10.0649 6.73586 5.13589 numMergedOcc 0
4 mol 175 unq 0 iso 0 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 14.0022 15.8107 9.77896 8.29015 numMergedOcc 0
5 mol 175 unq 1 iso 0 dist 6.03184 9.45659 5.77256 5.52686 9.57611 14.3157 14.0022 11.0322 9.77896 16.5498 numMergedOcc 0
6 mol 175 unq 2 iso 0 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 14.0022 11.0322 9.77896 8.29015 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 14.1039 10.9743 5.9176 13.8719 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 5.39949 6.66608 6.41453 5.48529 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 13.4507 13.8414 9.51597 12.4692 numMergedOcc 0
10 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 13.4507 15.5459 9.51597 12.4692 numMergedOcc 0
11 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 11.1156 11.2829 7.79066 9.0443 numMergedOcc 0
12 mol 231 unq 1 iso 0 dist 7.28719 9.98232 5.3251 10.2117 6.14348 8.40182 11.1156 11.2829 7.79066 12.1512 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 6.3873 9.31417 10.3007 16.6173 17.6657 8.67864 15.0391 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.33462 8.89538 7.22173 6.3873 5.56719 10.3007 16.6173 13.6546 8.67864 15.0391 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 7.39099 9.69025 7.98231 8.41846 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 7.39099 9.69025 7.98231 8.81835 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 6.12202 9.81087 7.96313 5.7574 7.79904 10.3851 13.6675 9.61642 7.46394 11.5044 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 13.6675 9.61642 7.46394 17.8761 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 6.44266 9.79674 9.61244 6.98398 7.80446 15.2761 7.28382 8.30714 8.91672 13.0115 numMergedOcc 0
20 mol 274 unq 3 iso 0 dist 6.44266 9.79674 9.61244 6.99898 9.86142 16.5774 7.28382 8.30714 8.91672 11.5044 numMergedOcc 0
21 mol 274 unq 4 iso 0 dist 8.75703 9.79674 10.7877 6.98398 9.91395 15.2761 7.28382 14.6318 8.91672 13.0115 numMergedOcc 0
