0 mol 12 unq 0 iso 0 dist 6.91627 7.86307 11.0859 4.12573 9.61179 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 6.91627 7.86307 11.0859 5.83262 12.4366 7.13046 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.2056 5.03976 4.49033 10.3745 12.7898 8.80193 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.68381 7.13638 10.3974 4.35705 5.84625 7.6481 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.72287 9.31622 10.2051 12.7532 18.1162 9.32552 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.04935 7.11013 11.9573 12.6241 11.9711 9.63599 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.66549 7.46478 16.1058 4.32784 10.4828 6.05495 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.79412 6.18729 7.62048 9.68856 9.16592 7.09065 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.65822 6.18729 8.44086 9.68856 11.8465 7.09065 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 8.54297 8.04178 10.7037 6.78058 13.6693 7.75012 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 8.54297 8.04178 10.7037 7.34304 10.7473 6.98158 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 9.35162 8.04178 8.80709 6.78058 14.2043 7.75012 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 9.35162 8.04178 8.80709 7.34304 6.03154 6.98158 numMergedOcc 0
13 mol 153 unq 0 iso 0 dist 5.9974 7.03196 4.03956 11.3441 10.0692 9.75856 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.94464 7.82604 6.39513 10.5886 10.547 5.95304 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.94464 8.22583 6.24616 6.15536 9.07527 5.97685 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 8.63713 7.82604 5.70246 10.5886 8.63119 5.95304 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 8.63713 8.22583 14.1913 6.15536 10.9985 5.97685 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 8.92685 6.62037 5.56759 4.19412 10.5454 5.97685 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 8.92685 6.21461 4.43465 4.19412 10.5454 8.9289 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 7.9801 6.86439 9.92842 10.4416 16.9268 8.1931 numMergedOcc 0
21 mol 226 unq 1 iso 0 dist 6.17825 6.86439 6.25647 10.4416 13.728 8.1931 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.93292 8.08534 4.20431 4.35114 8.55613 6.66959 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 6.98451 5.88787 6.97049 4.40079 10.2019 5.40318 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.8678 9.28273 16.7592 6.33919 13.2579 9.71152 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 8.00278 9.28273 15.6855 6.33919 13.2459 9.71152 numMergedOcc 0
26 mol 267 unq 0 iso 0 dist 9.60447 9.18446 13.3347 6.18902 13.6932 9.01354 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 8.74168 6.71956 8.74529 4.91325 10.9613 5.81266 numMergedOcc 0
