0 mol 8 unq 0 iso 0 dist 8.4444 6.52138 9.36578 4.77791 12.8778 9.42634 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.26523 7.83083 9.31121 4.82016 6.6345 9.9373 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 7.26523 7.83083 9.31121 10.8001 14.0034 8.4881 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 7.26523 6.90469 6.195 13.5354 11.8872 9.97671 numMergedOcc 0
4 mol 10 unq 3 iso 0 dist 7.26523 6.90469 6.195 4.82016 6.6345 7.83087 numMergedOcc 0
5 mol 10 unq 4 iso 0 dist 7.26523 6.90469 6.195 10.8001 14.0034 9.37129 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 5.2746 6.53195 6.36703 4.77227 7.26522 5.98867 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.40669 7.50959 4.86603 12.7301 9.83219 9.13689 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.07799 8.10681 5.15315 6.57809 10.6414 9.31435 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 8.27428 7.29985 7.84639 5.94269 9.96034 9.84239 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 8.27428 7.58281 11.4731 5.94269 9.96034 9.1728 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 8.27428 8.8756 12.0573 5.94269 9.96034 8.0255 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.67811 5.97886 9.75152 10.6036 15.1203 8.15495 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.74308 5.97886 6.30542 10.6036 6.13396 8.15495 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 7.21449 8.29754 5.67749 9.1418 12.1729 9.31941 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 9.22778 5.77532 5.67749 5.55728 12.1729 9.31941 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.768 7.78392 14.4576 4.37243 13.1323 6.35772 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.29649 5.19729 5.22417 7.94 7.07461 5.4687 numMergedOcc 0
18 mol 251 unq 0 iso 0 dist 5.0953 8.15014 10.3735 4.72905 9.07567 7.90148 numMergedOcc 0
19 mol 251 unq 1 iso 0 dist 5.0953 8.15014 10.3735 12.082 16.4966 9.49019 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 8.54084 6.90472 4.05076 11.0725 7.30709 4.76164 numMergedOcc 0
