0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 6.3236 6.1206 7.67927 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.00249 8.75465 4.80709 6.3236 7.67927 6.1206 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.57607 6.1991 6.27231 4.16047 8.27883 5.75428 numMergedOcc 0
3 mol 95 unq 0 iso 1 dist 6.1991 8.57607 6.27231 4.16047 5.75428 8.27883 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.57607 5.96246 11.734 4.16047 8.27883 8.57395 numMergedOcc 0
5 mol 95 unq 1 iso 1 dist 5.96246 8.57607 11.734 4.16047 8.57395 8.27883 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 6.1991 5.96246 6.95874 4.16047 5.75428 8.57395 numMergedOcc 0
7 mol 95 unq 1 iso 1 dist 5.96246 6.1991 6.95874 4.16047 8.57395 5.75428 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.76446 6.14652 5.83782 10.4858 9.1998 8.69531 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 6.14652 7.76446 5.83782 10.4858 8.69531 9.1998 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.4275 9.83462 3.55572 5.65129 6.59889 8.9192 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 9.83462 9.4275 3.55572 5.65129 8.9192 6.59889 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.33147 8.09403 5.33725 4.59843 8.97589 5.96423 numMergedOcc 0
17 mol 184 unq 0 iso 1 dist 8.09403 8.33147 5.33725 4.59843 5.96423 8.97589 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 10.0103 7.88013 9.90062 numMergedOcc 0
19 mol 188 unq 0 iso 1 dist 9.07006 8.01604 3.68927 10.0103 9.90062 7.88013 numMergedOcc 0
20 mol 188 unq 1 iso 0 dist 7.03264 6.32826 3.68927 7.94258 7.88013 9.90062 numMergedOcc 0
21 mol 188 unq 1 iso 1 dist 6.32826 7.03264 3.68927 7.94258 9.90062 7.88013 numMergedOcc 0
22 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 5.6688 5.12567 6.0563 numMergedOcc 0
23 mol 207 unq 0 iso 1 dist 9.05688 7.25953 6.07936 5.6688 6.0563 5.12567 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 4.81906 5.56538 7.48954 numMergedOcc 0
25 mol 222 unq 0 iso 1 dist 8.61619 8.63804 3.58181 4.81906 7.48954 5.56538 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 6.56525 5.46817 6.67199 5.8297 7.10671 8.67156 numMergedOcc 0
27 mol 243 unq 0 iso 1 dist 5.46817 6.56525 6.67199 5.8297 8.67156 7.10671 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 7.62102 9.30212 6.4611 numMergedOcc 0
29 mol 274 unq 0 iso 1 dist 7.64703 9.61255 13.5848 7.62102 6.4611 9.30212 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 5.90394 5.46926 5.13913 numMergedOcc 0
31 mol 277 unq 0 iso 1 dist 5.80061 7.88009 3.39114 5.90394 5.13913 5.46926 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 7.88009 5.80061 3.39114 9.57081 8.9682 6.92711 numMergedOcc 0
33 mol 277 unq 1 iso 1 dist 5.80061 7.88009 3.39114 9.57081 6.92711 8.9682 numMergedOcc 0
