0 mol 0 unq 0 iso 0 dist 5.98788 7.49611 6.91778 14.2968 10.9859 8.82102 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02286 14.1047 6.44736 8.85869 5.03532 9.85726 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.60653 5.65405 7.21717 10.4186 8.02105 6.59893 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.60653 5.65405 7.21717 6.10175 7.93241 5.59773 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.48163 11.5195 5.9465 11.3414 5.97684 7.86724 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.9575 6.23018 6.92026 10.2887 6.39438 6.7225 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 14.448 6.25204 6.49205 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.57532 12.1367 9.23858 13.2125 6.34278 9.42766 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.61574 10.5726 9.23858 13.776 6.34278 9.42766 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 6.87196 5.25879 8.78276 8.26291 7.91054 8.54461 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 6.87196 10.9365 7.96646 8.26291 7.91054 7.83619 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 6.87196 10.9365 7.96646 17.9497 11.6197 9.91643 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 5.43662 5.29825 8.70296 5.50364 4.17212 8.97145 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 5.43662 5.29825 8.70296 8.7301 9.64263 6.5874 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.10069 5.84808 6.30021 10.118 4.1075 8.81169 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.50938 5.32859 6.46704 4.35909 6.70394 7.44191 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.50938 5.32859 6.46704 5.77393 10.8517 6.00053 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.58118 5.1021 6.59716 8.58709 4.39102 9.8711 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 6.82883 10.78 6.11704 9.05082 7.93097 9.5723 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 8.22518 11.3247 6.11704 15.1102 7.93097 9.5723 numMergedOcc 0
20 mol 226 unq 2 iso 0 dist 6.02803 6.19485 6.11704 12.6814 7.93097 9.5723 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 7.99145 5.75236 9.17826 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.90065 9.69354 7.43071 16.2798 16.3489 9.17826 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 9.90065 7.00512 6.02296 14.2774 9.17153 9.64299 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 8.80866 5.44123 7.16525 12.0757 5.81577 7.66519 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.53802 14.2602 6.89451 20.0482 12.4627 9.6331 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.53802 14.2602 6.89451 20.0482 12.4627 9.6331 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.53802 14.2602 6.89451 20.0482 12.4627 9.6331 numMergedOcc 0
