0 mol 17 unq 0 iso 0 dist 9.26685 9.78918 14.8435 8.6745 4.86775 11.7645 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.26685 6.80314 14.487 8.6745 4.86775 11.6437 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71924 8.9204 4.40181 9.64034 13.6509 12.9694 numMergedOcc 0
3 mol 29 unq 1 iso 0 dist 7.71924 8.9204 4.40181 8.26334 4.98274 8.16431 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.36915 6.42242 13.1229 6.68961 10.9119 3.90503 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.01454 6.42242 6.98858 6.68961 6.1565 3.90503 numMergedOcc 0
6 mol 126 unq 0 iso 0 dist 7.25133 6.62527 11.5654 9.93116 13.7243 3.77183 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.34427 7.32407 4.68204 8.57774 13.2297 9.30433 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.34427 6.48695 9.09658 8.57774 13.2297 4.28744 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.85526 7.50264 9.66528 5.20195 4.77133 6.06606 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.33543 7.50264 5.45341 5.20195 4.56331 6.06606 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.92335 6.58859 11.1208 8.4449 6.75366 7.33205 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 8.954 6.80226 4.55978 6.51243 5.09521 4.8427 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 9.47945 6.4751 15.864 9.67711 12.6471 11.4851 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 9.47945 5.75085 14.3848 9.67711 12.6471 12.9811 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 5.97008 9.31172 14.253 6.95244 5.48443 11.3761 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 5.97008 9.31172 14.253 6.11224 10.2216 4.60149 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 7.20862 5.3747 8.58832 8.31266 13.7904 5.99712 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.09835 9.85821 15.7033 5.99355 14.486 10.8084 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 7.21466 9.85821 11.3034 5.99355 11.8914 10.8084 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.61786 9.54381 5.4894 8.62843 11.9611 14.1115 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 8.42706 9.54381 15.3099 8.62843 11.8531 14.1115 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.57035 9.24164 9.43169 7.03656 7.23238 3.80663 numMergedOcc 0
