0 mol 11 unq 0 iso 0 dist 6.56599 5.19841 5.43238 11.9176 8.17605 8.73067 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 5.11518 5.43238 11.6776 7.5901 9.09091 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.75771 7.10504 7.71914 10.3173 6.45654 8.2946 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.75771 7.10504 7.71914 12.9695 11.9626 9.25346 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.90246 5.80384 7.71914 10.5841 6.45654 8.2946 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 5.90246 5.80384 7.71914 13.8566 11.9626 9.25346 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.7933 4.97497 8.4517 5.94373 6.90629 9.32552 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.27701 5.04712 9.49413 10.5001 13.9603 8.809 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 6.06039 13.312 9.86739 11.8114 6.76585 8.809 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 6.06039 10.7702 8.39249 11.8114 6.76585 5.79343 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.12189 8.09964 7.49546 15.9514 9.73775 8.60108 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 5.8277 6.57826 7.49546 13.1064 9.73775 8.60108 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.92974 4.43167 6.74517 10.9927 8.00091 9.19117 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.89833 6.72205 8.20656 15.1918 14.048 9.06217 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 5.89833 10.7557 9.40622 15.1918 14.048 7.13252 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.35305 9.31022 5.89018 13.8244 8.92711 9.55606 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.23348 11.6466 5.89018 18.0903 8.92711 9.55606 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.26162 4.60179 4.55996 13.0758 6.09379 9.22384 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.26162 4.60179 4.55996 12.2695 6.99977 8.08737 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 13.6587 17.6349 9.47117 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 8.7572 11.4309 7.51827 13.4644 6.16433 7.73748 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.33963 6.20562 7.95168 13.5381 9.75331 7.57454 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.61559 5.2539 6.00721 12.1032 13.3255 8.90076 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.61559 5.2539 6.00721 11.0357 9.71156 6.62002 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.98781 4.81796 7.25543 8.87182 7.4465 7.02079 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 6.98781 4.81796 7.25543 5.95622 6.76677 5.88802 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 8.75924 12.6574 9.1101 12.8392 4.78857 7.12785 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 8.75924 14.7341 8.93338 12.8392 4.78857 6.66959 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 9.45903 4.82553 8.86638 5.92578 7.73342 6.28538 numMergedOcc 0
29 mol 250 unq 1 iso 0 dist 8.51531 4.82553 5.94383 5.92578 5.66455 6.28538 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.60653 3.83813 7.4363 12.3676 10.2977 8.92185 numMergedOcc 0
31 mol 270 unq 0 iso 0 dist 9.91826 14.286 9.16073 15.5201 6.0625 7.89388 numMergedOcc 0
