0 mol 10 unq 0 iso 0 dist 6.94273 4.71606 9.38807 5.8369 4.71687 9.17574 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.94273 8.74239 9.17211 5.8369 4.71687 8.79953 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.32719 11.6018 7.40415 9.28621 6.37119 5.19518 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.03702 12.7227 7.40415 12.6599 6.37119 5.19518 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.16411 13.7449 7.03307 14.6248 10.0772 6.53981 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 9.16411 10.2782 7.25707 14.6248 10.0772 9.14809 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.27584 15.4112 8.70863 22.5744 14.1233 8.04853 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.27584 15.4112 8.70863 20.324 14.3481 6.46549 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.40964 5.04277 8.57827 9.62106 5.19513 9.22418 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 5.49024 9.25955 8.83856 17.4266 15.5423 8.72359 numMergedOcc 0
10 mol 135 unq 1 iso 0 dist 5.49024 9.25955 8.83856 8.18584 6.66299 7.02963 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 7.28671 6.59209 4.74531 13.4823 10.247 8.1948 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 8.6792 10.301 7.14263 12.7724 5.21512 5.67088 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.23349 4.79372 8.07076 4.93303 4.16557 6.81516 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.23349 4.79372 8.07076 10.1326 8.70828 9.17562 numMergedOcc 0
15 mol 205 unq 2 iso 0 dist 8.7062 4.79372 5.95375 4.93303 7.1653 6.81516 numMergedOcc 0
16 mol 205 unq 3 iso 0 dist 8.7062 4.79372 5.95375 10.1326 6.72925 9.17562 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 5.98014 10.3035 9.08955 9.69145 3.98816 9.30639 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 5.98014 13.4152 8.88664 9.69145 3.98816 6.24462 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 5.98014 11.5963 7.16819 9.69145 3.98816 6.02034 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.42469 4.06349 7.38566 11.9821 9.61604 9.89191 numMergedOcc 0
