0 mol 20 unq 0 iso 0 dist 6.18227 4.15066 3.89371 7.50142 6.54413 7.69558 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.18227 4.15066 3.89371 6.4074 8.89655 8.3037 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.61972 4.85282 4.38574 6.93243 7.09714 3.54604 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.80956 4.85282 7.04908 6.93243 10.4736 3.54604 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 6.80165 6.03428 4.68007 9.78763 5.6505 9.95888 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 6.80165 6.03428 4.68007 9.61137 10.7222 11.1271 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.16474 9.04398 4.81683 5.6738 12.566 11.3166 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.47429 8.94007 10.7363 6.16995 5.70156 12.2295 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 7.06005 6.55106 4.61586 8.27087 8.61203 4.57491 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 9.28261 8.09572 10.5284 6.23804 9.20546 8.23098 numMergedOcc 0
10 mol 196 unq 1 iso 0 dist 9.28261 8.09572 10.5284 6.66019 5.43379 7.24985 numMergedOcc 0
11 mol 196 unq 2 iso 0 dist 9.28261 8.09572 10.5284 9.88671 9.68322 15.4354 numMergedOcc 0
12 mol 196 unq 3 iso 0 dist 8.40246 8.09572 4.36758 6.23804 10.5035 8.23098 numMergedOcc 0
13 mol 196 unq 4 iso 0 dist 8.40246 8.09572 4.36758 6.66019 10.5623 7.24985 numMergedOcc 0
14 mol 196 unq 5 iso 0 dist 8.40246 8.09572 4.36758 9.88671 17.516 15.4354 numMergedOcc 0
15 mol 196 unq 6 iso 0 dist 8.7291 8.09572 5.92479 6.23804 8.87549 8.23098 numMergedOcc 0
16 mol 196 unq 7 iso 0 dist 8.7291 8.09572 5.92479 6.66019 10.4831 7.24985 numMergedOcc 0
17 mol 196 unq 8 iso 0 dist 8.7291 8.09572 5.92479 9.88671 16.6466 15.4354 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.00531 7.26569 4.81519 6.24316 7.44283 7.33963 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.00531 6.50591 4.12315 6.24316 7.44283 3.76066 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 8.12807 8.17234 10.1227 5.82844 4.21727 10.8457 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.29151 7.45786 9.17245 8.55105 13.6008 6.81743 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 7.51983 9.01177 15.0579 8.16181 13.9563 4.28835 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 7.51983 9.15686 5.86631 8.16181 13.9563 11.8501 numMergedOcc 0
