0 mol 68 unq 0 iso 0 dist 6.27321 6.72469 7.71726 5.16912 7.07989 10.7153 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.27321 6.72469 7.71726 14.5387 9.77272 17.2731 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.64736 7.10218 12.669 6.61758 7.57443 9.42184 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 6.39099 5.62309 9.34647 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 4.84407 9.49995 11.5834 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 4.84407 9.49995 12.0576 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 8.4204 6.1991 10.4348 4.84407 9.49995 10.4457 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 8.4204 5.96246 5.88327 4.84407 9.49995 9.70292 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 9.55396 5.94696 5.08983 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.21813 6.37954 3.94967 9.55396 5.94696 9.58039 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.88541 8.00085 5.79394 11.9833 8.48774 13.1362 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.88541 8.00085 5.79394 15.0193 9.53055 13.0081 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 4.77108 9.66068 9.58604 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 5.55446 5.32773 3.84573 6.61244 5.37302 6.12348 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 5.55446 5.32773 3.84573 4.77108 8.03783 9.58604 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 5.55446 5.32773 3.84573 4.80164 8.47541 7.2672 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 4.89256 6.6014 5.91388 4.9915 6.03154 10.7203 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 5.77897 5.30818 3.95773 6.54652 5.51388 6.27683 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 5.77897 5.30818 3.95773 5.13324 8.17917 9.76361 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 5.77897 5.30818 3.95773 4.85063 8.68909 7.1757 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 9.71763 8.89822 3.95773 14.3008 5.51388 6.27683 numMergedOcc 0
21 mol 169 unq 4 iso 0 dist 9.71763 8.89822 3.95773 16.5605 8.17917 9.76361 numMergedOcc 0
22 mol 169 unq 5 iso 0 dist 9.71763 8.89822 3.95773 12.1929 8.68909 7.1757 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 9.91529 9.51638 13.9492 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 8.76228 7.48065 4.60149 9.91529 9.51638 9.26656 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 3.76321 8.95598 10.1839 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 3.76321 8.95598 8.27396 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.76308 8.9388 14.8715 12.897 7.58256 20.1314 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 9.34391 8.7085 10.3706 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.27184 5.9625 3.86189 5.05085 8.37813 9.94117 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.27184 5.9625 3.86189 5.9703 9.14116 10.6175 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 9.30964 5.68717 16.5477 numMergedOcc 0
32 mol 270 unq 0 iso 0 dist 6.97639 9.97694 9.62847 8.5694 8.50042 15.0069 numMergedOcc 0
