0 mol 10 unq 0 iso 0 dist 7.51287 5.50657 6.20404 4.61609 8.93461 4.62965 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.51287 5.50657 6.20404 10.5858 9.25382 5.37078 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.20647 6.38282 7.43895 5.95398 5.73363 4.50076 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.7961 7.4373 8.60396 15.4068 9.76585 11.3388 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.7961 5.81652 7.48969 15.4068 9.76585 14.9002 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 5.24284 7.7602 8.57785 11.3097 8.95571 16.0564 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 5.24284 7.71738 7.03751 11.3097 8.95571 4.42326 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 6.01552 5.47325 9.00513 8.01646 7.31677 6.52096 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 6.01552 4.0801 8.64665 8.01646 7.31677 9.50418 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.34288 7.06696 7.17678 12.391 7.30652 8.98413 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 9.12919 7.67847 8.68497 10.3357 9.80754 15.2712 numMergedOcc 0
11 mol 81 unq 1 iso 0 dist 9.12919 7.67847 8.68497 15.0067 8.9672 13.2452 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.58936 5.04868 7.03774 6.70963 5.83682 7.57026 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.74947 6.24568 8.0302 12.8281 8.52591 9.99567 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.74947 7.74601 6.65051 12.8281 8.52591 6.02176 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 6.74947 10.8712 9.41519 12.8281 8.52591 5.44444 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 6.46871 10.9673 7.76856 6.18523 6.60418 6.2739 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.31677 11.3876 6.17825 4.52889 9.03261 8.7629 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.31677 11.3876 6.17825 12.1893 7.67573 8.45224 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 7.55878 15.0896 9.49046 14.8036 8.01777 4.61365 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 7.55878 9.27865 7.24533 14.8036 8.01777 8.61205 numMergedOcc 0
21 mol 233 unq 2 iso 0 dist 4.91191 6.6982 9.49046 4.26152 8.01777 4.61365 numMergedOcc 0
22 mol 233 unq 3 iso 0 dist 4.91191 4.98124 7.24533 4.26152 8.01777 8.61205 numMergedOcc 0
23 mol 247 unq 0 iso 0 dist 6.35578 6.74468 9.79737 10.9079 9.75065 17.0777 numMergedOcc 0
24 mol 247 unq 1 iso 0 dist 6.35578 9.39272 8.34155 10.9079 9.75065 12.8756 numMergedOcc 0
25 mol 247 unq 2 iso 0 dist 6.35578 10.3476 8.30945 10.9079 9.75065 9.14072 numMergedOcc 0
