0 mol 68 unq 0 iso 0 dist 6.27321 6.72469 7.71726 4.9983 3.99506 3.74917 5.16912 7.07989 10.7153 8.18214 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.27321 6.72469 7.71726 4.9983 3.99506 3.74917 14.5387 9.77272 17.2731 13.6793 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.64736 7.10218 12.669 5.98764 14.0777 10.145 6.61758 7.57443 9.42184 11.8856 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 4.55309 3.79182 7.54661 6.39099 5.62309 9.34647 7.29864 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 8.6356 15.3665 3.62998 4.84407 9.49995 11.5834 11.8578 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 8.6356 15.3665 8.96713 4.84407 9.49995 12.0576 11.8578 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 8.4204 6.1991 10.4348 8.6356 15.3665 10.6694 4.84407 9.49995 10.4457 11.8578 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 8.4204 5.96246 5.88327 8.6356 15.3665 10.3539 4.84407 9.49995 9.70292 11.8578 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 4.89256 6.6014 5.91388 7.66528 6.30769 8.3147 4.9915 6.03154 10.7203 8.46801 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.71763 8.89822 3.95773 7.07933 3.83687 3.59996 14.3008 5.51388 6.27683 7.33643 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 9.71763 8.89822 3.95773 7.07933 3.83687 3.59996 16.5605 8.17917 9.76361 11.7902 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 9.71763 8.89822 3.95773 7.07933 3.83687 3.59996 12.1929 8.68909 7.1757 10.1085 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 9.98096 4.79971 4.56877 3.76321 8.95598 10.1839 12.8996 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 6.71675 8.33147 3.7949 8.24035 5.05856 6.68311 3.76321 8.95598 10.1839 11.7036 numMergedOcc 0
14 mol 184 unq 2 iso 0 dist 6.71675 8.33147 3.7949 8.77932 5.69882 3.88698 3.76321 8.95598 10.1839 9.10344 numMergedOcc 0
15 mol 184 unq 3 iso 0 dist 6.71675 8.09403 4.67256 9.98096 4.79971 8.73 3.76321 8.95598 8.27396 12.8996 numMergedOcc 0
16 mol 184 unq 4 iso 0 dist 6.71675 8.09403 4.67256 8.24035 5.05856 9.71065 3.76321 8.95598 8.27396 11.7036 numMergedOcc 0
17 mol 184 unq 5 iso 0 dist 6.71675 8.09403 4.67256 8.77932 5.69882 3.30691 3.76321 8.95598 8.27396 9.10344 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.76308 8.9388 14.8715 8.86574 5.39534 16.2492 12.897 7.58256 20.1314 10.1955 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 6.26596 4.05067 5.22858 9.34391 8.7085 10.3706 11.2649 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 4.54064 3.60349 9.98348 9.30964 5.68717 16.5477 7.88108 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.97639 9.97694 9.62847 8.93961 9.06597 3.11108 8.5694 8.50042 15.0069 12.7835 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 6.97639 9.97694 9.62847 7.96508 6.72549 15.3195 8.5694 8.50042 15.0069 8.76202 numMergedOcc 0
