0 mol 34 unq 0 iso 0 dist 6.88388 5.0047 7.27883 5.85441 8.63361 6.71712 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 4.35437 5.41685 7.86269 4.04916 7.51138 7.25581 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 4.35437 5.41685 7.86269 9.70636 9.86843 11.1561 numMergedOcc 0
3 mol 90 unq 2 iso 0 dist 4.35437 5.41685 7.86269 8.46448 6.86146 11.7919 numMergedOcc 0
4 mol 90 unq 3 iso 0 dist 4.35437 5.41685 7.86269 10.7717 8.83296 9.89859 numMergedOcc 0
5 mol 90 unq 4 iso 0 dist 4.85949 8.00269 9.99316 10.8479 8.83296 13.6843 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.49149 12.1938 9.07172 4.42156 7.63127 8.25036 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 8.57184 7.46946 7.5639 4.0476 5.3573 5.62223 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 5.94881 8.85582 6.69054 6.75094 9.75627 9.6968 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 7.72774 6.66313 7.92535 6.09706 9.29264 10.6822 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 7.38163 3.75723 7.92535 7.64139 9.29264 10.6822 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.26119 13.7534 7.47107 9.55026 5.52678 11.4288 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.26119 13.7534 7.47107 5.81844 9.81666 15.4624 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 9.10338 13.5452 7.47107 7.42146 5.52678 11.4288 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 9.10338 13.5452 7.47107 14.7061 9.81666 15.4624 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.1139 7.97874 9.86462 4.36657 8.22792 5.92515 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.55355 8.90714 8.28454 11.802 6.53728 7.01029 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 5.01762 8.92996 9.43554 12.0912 9.60364 15.3306 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 5.01762 8.76762 9.21681 12.0912 9.60364 14.1113 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.84667 11.9929 8.28871 11.6262 5.74568 5.7394 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 9.84667 14.4117 7.94668 11.6262 5.74568 6.63115 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 5.7547 7.67959 7.77655 9.00942 5.91064 6.77784 numMergedOcc 0
22 mol 286 unq 1 iso 0 dist 9.56362 10.2708 7.77655 5.49495 5.91064 6.77784 numMergedOcc 0
