0 mol 0 unq 0 iso 0 dist 7.55723 4.18909 6.80636 12.1236 9.15248 8.31596 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 8.48796 8.47421 11.7926 8.27962 9.29529 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.47321 8.48796 8.47421 12.1925 11.4878 7.2199 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.97875 7.75648 9.53002 10.332 7.85924 5.43238 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.36645 4.16088 8.09058 8.80334 4.84988 9.54797 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 14.3166 5.35421 8.4517 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 12.7242 5.35421 8.4517 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 8.61926 5.35421 8.4517 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 9.99634 8.21081 9.80142 10.2533 4.94316 8.06829 numMergedOcc 0
9 mol 64 unq 4 iso 0 dist 9.99634 11.6323 9.54144 11.9691 5.68303 8.4517 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 8.24121 6.51655 7.04352 5.29487 11.1718 9.70189 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 9.10488 7.0184 8.3586 5.20598 10.0455 7.38914 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 5.97879 5.84883 6.73814 14.7982 12.1324 9.86739 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 5.97879 5.84883 6.73814 10.2505 6.95201 8.39249 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 5.97879 5.84883 6.73814 10.6522 5.9968 8.93623 numMergedOcc 0
15 mol 114 unq 3 iso 0 dist 8.19156 5.01204 6.96442 6.71591 5.37729 8.87941 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 7.73139 11.54 9.81878 17.6467 14.085 6.3244 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 6.66607 6.09683 9.81878 10.9741 14.085 6.3244 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 8.62711 13.376 9.81878 18.5156 14.085 6.3244 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.41832 6.92517 6.95323 10.9743 6.69673 5.63811 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.41832 6.92517 6.95323 5.17739 5.58533 7.49546 numMergedOcc 0
21 mol 140 unq 2 iso 0 dist 5.44596 6.92517 7.27371 10.9743 8.17877 5.63811 numMergedOcc 0
22 mol 140 unq 3 iso 0 dist 5.44596 6.92517 7.27371 5.17739 4.6872 7.49546 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 6.53758 6.40439 8.87452 8.54318 5.77564 6.51096 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 6.53758 6.76022 7.68368 8.54318 5.77564 8.73171 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 7.28355 10.0058 7.16254 11.7713 4.9093 6.51096 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 7.28355 10.0058 7.16254 16.9546 10.7896 8.73171 numMergedOcc 0
27 mol 155 unq 4 iso 0 dist 7.28355 10.5375 9.86313 16.1551 13.5062 7.37901 numMergedOcc 0
28 mol 155 unq 5 iso 0 dist 8.66709 7.00069 7.39644 9.18878 5.40375 7.37901 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 6.6776 10.2578 9.8589 12.5642 11.0415 4.79852 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 9.88212 12.7227 7.17547 13.1621 4.54272 8.57853 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 9.88212 12.7227 7.17547 17.1021 10.2673 6.75035 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 7.04127 9.20195 8.19953 11.0276 7.67202 4.55996 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 4.79841 5.64308 7.06793 11.4157 7.98696 8.89778 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 4.79841 7.32238 6.67585 11.4157 7.98696 9.47554 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.67966 8.71179 9.39181 10.5351 6.29366 5.32183 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 12.9002 4.87097 6.00721 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 9.26156 13.2114 7.20082 12.5745 6.26168 6.34801 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 8.21206 11.1994 8.80086 16.7691 11.0402 7.88284 numMergedOcc 0
39 mol 250 unq 1 iso 0 dist 8.21206 11.1994 8.80086 14.1646 7.26274 9.88279 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.67877 13.6436 6.49982 15.1714 5.95565 7.16259 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 8.82094 10.6582 7.67853 12.7107 5.7074 6.75716 numMergedOcc 0
42 mol 272 unq 1 iso 0 dist 9.80332 5.96784 7.67853 11.4354 5.7074 6.75716 numMergedOcc 0
43 mol 284 unq 0 iso 0 dist 6.86342 5.13259 7.52785 6.34235 7.29657 7.5746 numMergedOcc 0
