0 mol 25 unq 0 iso 0 dist 8.83402 9.03281 5.89178 8.46842 5.59268 9.36442 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.58806 9.26742 5.45722 9.27448 7.15972 10.3386 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.58806 9.26742 5.45722 9.07927 12.1122 13.8914 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.58806 9.26742 5.45722 8.50987 14.3338 15.924 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 8.44832 6.70575 8.52203 4.82342 5.35193 5.39129 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 8.87569 8.52059 12.3258 8.52979 10.8037 6.55558 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 8.87569 9.99694 8.93994 8.52979 10.8037 6.86126 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.76383 8.99189 10.3722 5.17291 7.19147 5.31439 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 8.01128 10.9027 9.58693 8.91618 9.30656 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.3761 8.01128 10.9027 9.48388 12.3835 14.8937 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.84583 8.01128 10.6397 9.58693 12.9994 9.30656 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.84583 8.01128 10.6397 9.48388 4.96747 14.8937 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 8.8763 8.2592 8.3456 8.26309 9.45824 5.22375 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.34149 9.63478 8.83212 9.45717 14.5572 11.1611 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.63279 9.63478 11.075 9.45717 16.553 11.1611 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 8.80094 6.8754 11.6784 7.53748 13.1236 5.14202 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 9.03681 6.8754 8.11196 7.53748 9.8022 5.14202 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 6.02401 8.10832 5.67833 8.67044 4.70115 10.2694 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.15743 7.38809 8.47021 6.94983 9.60401 13.6402 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 5.67249 9.79506 10.9042 8.58958 10.3064 6.00143 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 5.67249 9.79506 10.9042 7.17987 6.50055 9.8423 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.40329 5.50501 6.83211 6.67907 4.32403 5.74377 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 5.40329 5.50501 6.83211 6.0087 4.38595 10.054 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.44043 9.41308 5.62491 8.14812 9.07364 5.09738 numMergedOcc 0
