0 mol 29 unq 0 iso 0 dist 5.36278 8.9204 7.29489 6.69806 8.53135 14.3861 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.50258 9.19374 5.07025 5.82508 8.53135 11.2551 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.12267 7.41937 4.26531 6.39609 8.01856 10.6954 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.12267 6.07108 6.56501 6.39609 8.01856 9.67641 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 8.27009 9.42982 14.2762 6.22963 8.01856 14.3104 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 8.27009 8.17929 4.26531 6.22963 8.01856 10.6954 numMergedOcc 0
6 mol 67 unq 4 iso 0 dist 8.27009 5.63802 6.56501 6.22963 8.01856 9.67641 numMergedOcc 0
7 mol 67 unq 5 iso 0 dist 8.43162 7.41937 11.1043 9.08666 9.8048 12.9617 numMergedOcc 0
8 mol 67 unq 6 iso 0 dist 8.43162 6.07108 12.2002 9.08666 9.8048 11.0929 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.79959 9.68619 3.96279 10.503 8.88401 12.3251 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 7.18976 9.18949 11.7124 9.2094 8.03603 16.8959 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.88178 7.50264 13.5143 15.6097 8.15734 20.3715 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.88178 7.50264 13.5143 5.57607 6.00896 11.45 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 8.59214 7.08934 10.6706 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 6.59407 6.80226 4.93161 7.46189 9.43135 12.7391 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.52029 9.46973 4.29037 13.8486 9.23669 13.4344 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 6.38518 6.02053 9.9964 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 5.86839 6.23057 4.79372 7.86936 7.41663 11.2012 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.25149 8.75712 10.8928 8.17619 9.57625 11.2784 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.6368 8.75712 4.03653 7.36665 9.984 10.9396 numMergedOcc 0
20 mol 220 unq 2 iso 0 dist 8.6368 8.75712 4.03653 8.17619 8.08702 11.2784 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 7.79787 9.97458 4.89551 8.64762 6.2667 5.60146 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 9.54511 7.00841 9.6988 9.66767 5.73448 13.2437 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 4.85199 6.45102 5.52134 5.03102 9.38192 9.88841 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 4.85199 6.45102 5.52134 6.40309 6.99444 10.4512 numMergedOcc 0
25 mol 261 unq 2 iso 0 dist 9.13604 9.20425 5.52134 9.37836 9.38192 9.88841 numMergedOcc 0
26 mol 261 unq 3 iso 0 dist 9.13604 9.20425 5.52134 5.91745 6.99444 10.4512 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 9.50884 7.03848 11.0964 7.94329 5.76281 11.8112 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 5.78262 9.57659 12.1916 7.01631 7.84151 16.5825 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 5.78262 9.57659 12.1916 7.05181 7.346 14.6687 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 5.78262 7.8424 7.70478 7.01631 7.84151 14.0133 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 5.78262 7.8424 7.70478 7.05181 7.346 12.2765 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 8.54984 8.42086 6.45254 6.0405 8.30313 10.4011 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 6.04225 8.42086 4.0078 6.0405 6.51248 10.4011 numMergedOcc 0
34 mol 282 unq 2 iso 0 dist 5.00258 7.84236 4.0078 6.38947 6.51248 10.4011 numMergedOcc 0
