0 mol 32 unq 0 iso 0 dist 7.65602 5.98304 6.19304 13.8947 11.7888 7.99969 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.04354 12.2182 9.20373 17.7789 15.0205 6.14538 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.34361 11.5332 8.60653 5.97635 5.65405 7.21717 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.91313 11.5851 5.67362 10.5781 5.46309 9.25641 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.28161 4.00884 6.48163 9.28057 11.5195 5.9465 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.28161 4.00884 6.48163 10.3713 11.5567 6.97962 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.28161 4.00884 6.48163 12.5277 10.743 9.95342 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 4.98783 4.1125 6.48163 8.4545 11.5195 5.9465 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 4.98783 4.1125 6.48163 7.01176 11.5567 6.97962 numMergedOcc 0
9 mol 92 unq 5 iso 0 dist 4.98783 4.1125 6.48163 11.7125 10.743 9.95342 numMergedOcc 0
10 mol 96 unq 0 iso 0 dist 9.25466 13.2865 8.9536 13.8652 4.86104 8.39111 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 4.69926 6.84415 6.87196 9.82534 5.25879 8.78276 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 4.69926 6.84415 6.87196 8.83115 5.26656 7.88805 numMergedOcc 0
13 mol 130 unq 2 iso 0 dist 4.69926 6.84415 6.87196 13.5125 10.9365 7.96646 numMergedOcc 0
14 mol 130 unq 3 iso 0 dist 4.69926 6.84415 6.87196 11.9024 10.6181 7.90048 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.46875 4.34786 5.43662 7.81337 5.29825 8.70296 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.13184 6.11369 8.32841 10.9212 10.9993 9.00416 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 9.13184 8.26792 6.00295 16.4864 9.26251 8.73722 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 7.27593 4.33572 6.10069 9.57838 5.84808 6.30021 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 7.27593 4.33572 6.10069 11.409 9.92385 9.47433 numMergedOcc 0
20 mol 156 unq 4 iso 0 dist 7.27593 6.11369 6.56065 10.9212 4.75264 9.00416 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 9.19555 4.11186 9.59587 5.80441 6.93557 5.85827 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.14877 6.78739 5.25309 9.84952 7.07865 5.94469 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 6.64749 4.11297 5.77158 10.4693 5.87924 7.66165 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 9.74234 4.69067 8.36471 8.062 9.83647 9.74144 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 numMergedOcc 0
26 mol 244 unq 0 iso 0 dist 9.16789 9.01951 5.60146 13.4982 8.82711 5.50492 numMergedOcc 0
27 mol 244 unq 1 iso 0 dist 8.19381 4.38246 5.60146 7.65388 8.82711 5.50492 numMergedOcc 0
28 mol 244 unq 2 iso 0 dist 7.35657 4.38246 9.80249 7.65388 14.6599 5.50492 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.83374 14.6007 8.16005 16.347 6.69098 8.49177 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 5.75335 7.55971 8.16005 10.1523 6.69098 8.49177 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.2899 7.1944 6.68183 12.9938 5.81799 7.07965 numMergedOcc 0
