0 mol 0 unq 0 iso 0 dist 7.96742 6.8892 9.53992 5.55156 11.962 5.85361 7.16694 14.4281 9.16606 6.94181 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 6.8892 11.5675 5.55156 6.83587 5.85361 7.16694 10.9707 9.16606 6.94181 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 6.78528 9.72314 13.7912 6.83481 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 16.9712 22.9494 13.5237 9.37094 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 9.53071 17.1733 13.9107 9.62866 numMergedOcc 0
5 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 8.55431 8.50143 12.3309 16.0092 16.4382 21.3829 9.21254 numMergedOcc 0
6 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 8.55431 8.50143 5.10423 16.0092 16.4382 13.6962 9.21254 numMergedOcc 0
7 mol 159 unq 2 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 16.0092 16.4382 12.8741 9.21254 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.42819 8.35998 9.00663 13.5359 15.9574 15.8431 8.46796 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 11.9931 8.58709 16.6963 6.21273 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 11.9931 8.58709 18.4836 6.21273 numMergedOcc 0
11 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 11.8106 12.0105 16.669 5.62804 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 9.44182 12.5656 16.3204 6.83046 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 16.1624 11.1104 21.4236 8.40766 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 5.79358 10.9114 8.73425 8.21585 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 16.1624 11.1104 22.099 8.40766 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 5.79358 10.9114 9.65711 8.21585 numMergedOcc 0
17 mol 258 unq 4 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 16.1624 18.7534 21.4236 8.40766 numMergedOcc 0
18 mol 258 unq 5 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 5.79358 6.59521 8.73425 8.21585 numMergedOcc 0
19 mol 258 unq 6 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 16.1624 18.7534 22.099 8.40766 numMergedOcc 0
20 mol 258 unq 7 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 5.79358 6.59521 9.65711 8.21585 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 5.72823 9.56414 11.9931 9.95681 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 5.72823 9.56414 11.9931 9.05762 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 9.24343 5.59151 11.7974 5.82876 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 4.77763 8.36655 11.6898 8.68797 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 4.77763 10.6842 11.6898 8.68797 numMergedOcc 0
