0 mol 20 unq 0 iso 0 dist 4.15066 7.50142 7.69558 6.75769 7.6974 9.84488 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.85282 6.93243 3.54604 4.85685 6.35779 5.83263 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.04398 5.6738 11.3166 10.3017 12.9249 8.46167 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 9.04398 5.6738 11.3166 10.3632 12.1329 6.13175 numMergedOcc 0
4 mol 113 unq 2 iso 0 dist 9.04398 5.6738 11.3166 9.86085 13.6638 4.34107 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.99873 5.29259 3.46142 6.06647 8.66766 5.45716 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.94007 6.16995 12.2295 5.76262 8.76449 9.28718 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 6.55106 8.27087 4.57491 7.69131 8.51811 5.60333 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 6.55106 8.27087 4.57491 5.25264 7.26558 5.58647 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 6.55106 8.27087 4.57491 9.38629 11.3766 8.5733 numMergedOcc 0
10 mol 176 unq 3 iso 0 dist 8.08891 7.71329 4.57491 4.53563 8.51811 5.60333 numMergedOcc 0
11 mol 176 unq 4 iso 0 dist 8.08891 7.71329 4.57491 3.97245 7.26558 5.58647 numMergedOcc 0
12 mol 176 unq 5 iso 0 dist 8.08891 7.71329 4.57491 7.9617 11.3766 8.5733 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 8.09572 6.23804 8.23098 4.20473 12.254 8.94198 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 8.09572 6.66019 7.24985 4.20473 12.254 9.49159 numMergedOcc 0
15 mol 196 unq 2 iso 0 dist 8.09572 9.88671 15.4354 4.20473 12.254 8.79306 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.26569 6.24316 7.33963 6.47265 10.0507 8.15802 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 6.50591 6.24316 3.76066 6.47265 7.45831 8.15802 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.17749 6.70789 6.37759 4.73685 4.90656 8.47836 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 9.29276 7.08055 3.73947 4.01942 9.58816 8.69082 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 9.29276 7.08055 3.73947 11.0805 10.2926 8.2521 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.62637 7.7975 6.1174 8.63373 7.97614 6.85081 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 6.38051 5.43095 3.41551 9.94962 12.7637 9.66129 numMergedOcc 0
