0 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 8.67162 8.35396 13.1887 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 5.27432 5.2315 8.97644 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 4.5673 5.59308 6.01423 5.27432 5.2315 5.20813 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.82707 9.24886 8.10446 8.15716 9.69315 6.23984 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.82707 9.24886 8.10446 15.2274 8.96327 12.2163 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 5.27337 5.32751 9.35355 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 4.86767 5.27861 6.13559 5.27337 5.32751 5.27716 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 4.86767 4.8628 6.51395 5.27337 5.32751 9.60224 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.03113 8.2258 7.35992 9.09763 9.28045 7.09209 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.03113 11.1305 6.49383 9.09763 9.28045 5.82334 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 9.2638 10.3223 7.35992 16.4013 9.28045 7.09209 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 9.2638 12.8624 6.49383 16.4013 9.28045 5.82334 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 13.2874 9.87021 12.0468 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 13.2874 7.34023 12.0468 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 13.3343 9.96938 12.1191 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 13.3343 7.35268 12.1191 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.32948 6.68039 6.78758 8.9233 6.174 4.32443 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 7.28781 6.69832 8.94909 13.2896 9.43169 10.6175 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 7.28781 6.69832 8.94909 6.09555 5.9438 4.06684 numMergedOcc 0
19 mol 254 unq 2 iso 0 dist 7.00841 9.65183 8.94909 9.92619 9.43169 10.6175 numMergedOcc 0
20 mol 254 unq 3 iso 0 dist 7.00841 9.65183 8.94909 6.33436 5.9438 4.06684 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 6.77259 5.18289 9.71152 5.62596 9.60449 9.57643 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 9.38952 9.6632 5.80452 8.99273 8.83569 6.07839 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 9.38952 12.7222 7.82157 8.99273 8.83569 13.1161 numMergedOcc 0
24 mol 280 unq 2 iso 0 dist 7.42529 5.97333 5.80452 5.84126 8.83569 6.07839 numMergedOcc 0
25 mol 280 unq 3 iso 0 dist 7.42529 11.9982 7.82157 5.84126 8.83569 13.1161 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.67838 9.01459 5.7131 6.48269 8.55781 11.5374 numMergedOcc 0
