0 mol 8 unq 0 iso 0 dist 9.68072 9.74854 7.36439 8.37509 12.7755 7.85915 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99557 6.81211 10.8185 7.06922 14.0277 6.06807 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.96618 9.24833 5.48266 6.70384 6.2317 7.36797 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 9.96618 9.24833 5.48266 4.4727 7.6278 5.44659 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 9.96618 9.24833 5.48266 6.70668 7.76322 10.4384 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 7.71423 9.24833 7.50706 6.70384 4.61111 7.36797 numMergedOcc 0
6 mol 76 unq 4 iso 0 dist 7.71423 9.24833 7.50706 4.4727 6.88001 5.44659 numMergedOcc 0
7 mol 76 unq 5 iso 0 dist 7.71423 9.24833 7.50706 6.70668 4.84648 10.4384 numMergedOcc 0
8 mol 76 unq 6 iso 0 dist 8.2344 9.24833 15.0868 6.70384 9.21921 7.36797 numMergedOcc 0
9 mol 76 unq 7 iso 0 dist 8.2344 9.24833 15.0868 4.4727 11.1773 5.44659 numMergedOcc 0
10 mol 76 unq 8 iso 0 dist 8.2344 9.24833 15.0868 6.70668 6.95276 10.4384 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 9.56049 6.98288 5.86285 6.21251 9.89759 4.61198 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 6.68154 6.78965 4.78712 5.37527 4.93796 8.2865 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.16537 9.88046 6.33045 9.0807 8.3456 5.48326 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 9.77978 9.88046 5.04281 9.0807 4.32749 5.48326 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.52227 5.77703 3.80626 8.84415 6.83142 3.81784 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 7.6395 6.18528 6.07309 7.76167 6.71172 9.75787 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 7.6395 6.18528 6.07309 8.63766 9.35622 7.53325 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 7.6395 6.18528 6.07309 8.42082 10.2818 13.1578 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 7.67343 6.13554 6.06354 7.83202 6.72413 9.78599 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 7.67343 6.13554 6.06354 8.7107 9.42084 7.68304 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 7.67343 6.13554 6.06354 8.47493 10.2642 13.1208 numMergedOcc 0
22 mol 180 unq 0 iso 0 dist 9.04442 8.63331 7.72126 6.46375 12.9722 8.15556 numMergedOcc 0
23 mol 180 unq 1 iso 0 dist 9.07802 8.63331 16.3679 6.46375 9.3951 8.15556 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.66909 5.37285 5.09339 7.00749 9.6545 5.61141 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.61657 7.82527 6.2052 7.78448 8.02081 10.2605 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 8.21225 6.28288 6.8934 8.95513 9.21639 5.0051 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 6.70168 4.89999 6.23285 7.65571 4.44097 4.87971 numMergedOcc 0
