0 mol 26 unq 0 iso 0 dist 9.15677 13.6936 9.80897 16.4682 8.34347 12.8257 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 15.9417 8.37225 16.4682 8.34347 8.70636 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 9.53753 9.80897 14.3476 8.34347 12.8257 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 7.84121 8.37225 14.3476 8.34347 8.70636 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.65229 15.3708 9.90769 5.43987 9.60462 13.4578 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.65229 15.3708 9.90769 9.7695 7.45389 6.69178 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 5.09114 10.1345 8.75778 6.01457 8.37808 9.00329 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.14071 14.3839 8.59695 13.1328 5.83384 6.13737 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.14071 11.9431 6.42706 13.1328 5.83384 5.12351 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 11.5819 8.86784 10.1742 6.54501 5.15251 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.99089 11.5819 8.86784 12.6542 6.49416 6.65283 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.31492 13.278 9.06702 7.48422 9.31746 13.1207 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 7.8621 10.2184 9.06702 6.98787 9.31746 13.1207 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.92766 13.46 9.44947 14.0488 7.10633 10.5243 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.92766 13.46 9.44947 7.58285 8.51516 10.2677 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.36642 11.1941 8.52924 4.87114 6.03031 7.17157 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.36642 11.1941 8.52924 9.43922 7.26832 11.993 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 7.36642 11.1941 8.52924 6.98312 7.80463 9.67882 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 8.59262 10.9563 8.95375 4.38308 8.02137 6.84704 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 8.59262 10.9563 8.95375 13.472 9.774 7.72969 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 8.59262 12.1002 9.29007 4.38308 8.02137 12.4178 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 8.59262 12.1002 9.29007 13.472 9.774 9.9578 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 6.83122 11.9124 9.92165 9.3424 9.65138 10.1227 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 6.83122 11.9124 9.92165 12.2622 7.14453 6.83063 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 6.83122 11.9124 9.92165 6.75833 8.85478 12.7439 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 6.18486 7.03318 9.78611 6.78651 7.55216 9.775 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.49673 10.7025 6.43546 6.10412 7.00034 5.54495 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.42827 10.249 6.26142 8.22485 7.57994 5.59015 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 6.42827 10.249 6.26142 6.77698 6.18582 4.77325 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.27977 6.86808 9.24472 13.1217 9.70696 13.0364 numMergedOcc 0
