0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 10.6501 8.79272 7.12263 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 10.6477 6.32152 5.00267 9.94625 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 11.4391 6.119 5.55437 10.7921 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 13.0079 11.2106 9.40479 4.90592 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 13.7923 5.97304 9.38831 9.36461 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 13.0079 11.2106 9.40479 16.1638 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 13.7923 5.97304 9.38831 11.9865 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 13.0079 11.2106 9.40479 8.16324 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 13.7923 5.97304 9.38831 14.4545 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 15.5041 10.7735 7.63183 15.0563 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 18.0219 10.7735 7.63183 15.0563 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 7.20629 3.78311 8.03035 8.8562 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 7.20629 3.78311 8.03035 7.91683 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.62648 5.50673 6.37542 9.25614 6.52773 4.86811 7.20629 3.78311 7.6968 8.8562 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.62648 5.50673 6.37542 5.53673 9.23858 8.00229 7.20629 3.78311 7.6968 7.91683 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 22.1491 15.7796 7.76594 15.3401 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 22.1491 15.7796 7.76594 18.9021 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 14.8886 8.24418 8.26172 11.5185 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 13.5884 9.61561 7.82546 7.32555 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 13.5884 9.61561 7.82546 10.3097 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 14.5395 10.7508 9.89583 14.4327 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 14.5395 10.7508 9.89583 18.559 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 9.28463 14.1055 9.89583 12.8056 numMergedOcc 0
23 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 5.24149 6.68687 15.5587 16.3061 10.6074 9.53915 16.0268 numMergedOcc 0
