0 mol 4 unq 0 iso 0 dist 6.12485 6.21697 6.86951 5.52224 8.81559 5.1661 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.86951 6.21697 6.12485 5.1661 8.81559 5.52224 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.6051 10.1259 8.15864 7.81704 6.6691 12.0704 numMergedOcc 0
3 mol 12 unq 0 iso 1 dist 8.15864 10.1259 6.6051 12.0704 6.6691 7.81704 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 6.6051 10.1259 8.15864 11.1322 9.23807 12.4138 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 8.15864 10.1259 6.6051 12.4138 9.23807 11.1322 numMergedOcc 0
6 mol 12 unq 2 iso 0 dist 6.6051 10.1259 8.15864 13.5603 9.52857 4.40652 numMergedOcc 0
7 mol 12 unq 2 iso 1 dist 8.15864 10.1259 6.6051 4.40652 9.52857 13.5603 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 8.74487 9.9897 7.44828 6.29569 9.8482 13.6327 numMergedOcc 0
9 mol 33 unq 0 iso 1 dist 7.44828 9.9897 8.74487 13.6327 9.8482 6.29569 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.52643 5.76037 5.41357 12.0216 5.94373 7.07433 numMergedOcc 0
11 mol 64 unq 0 iso 1 dist 5.41357 5.76037 8.52643 7.07433 5.94373 12.0216 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.61089 12.6473 8.64686 5.37898 5.33546 8.69896 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 8.64686 12.6473 8.61089 8.69896 5.33546 5.37898 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 6.11833 4.40288 7.12201 8.65154 8.40598 11.2367 numMergedOcc 0
15 mol 105 unq 0 iso 1 dist 7.12201 4.40288 6.11833 11.2367 8.40598 8.65154 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.84762 4.76384 5.2184 7.29711 7.89317 4.96177 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 5.2184 4.76384 9.84762 4.96177 7.89317 7.29711 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 8.94921 11.1772 7.77669 15.2897 9.04575 5.62785 numMergedOcc 0
19 mol 140 unq 0 iso 1 dist 7.77669 11.1772 8.94921 5.62785 9.04575 15.2897 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.82201 8.94237 5.86911 11.045 5.82124 5.74127 numMergedOcc 0
21 mol 214 unq 0 iso 1 dist 5.86911 8.94237 7.82201 5.74127 5.82124 11.045 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.39087 6.99846 9.86144 5.45485 5.75839 4.69132 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 9.86144 6.99846 6.39087 4.69132 5.75839 5.45485 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 8.63249 15.386 7.74348 11.7955 5.91739 8.52618 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 7.74348 15.386 8.63249 8.52618 5.91739 11.7955 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.66936 11.3688 8.15119 5.41599 9.35976 12.7485 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 8.15119 11.3688 6.66936 12.7485 9.35976 5.41599 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 4.72125 8.71249 7.41524 5.82185 6.67882 4.27008 numMergedOcc 0
29 mol 293 unq 0 iso 1 dist 7.41524 8.71249 4.72125 4.27008 6.67882 5.82185 numMergedOcc 0
30 mol 293 unq 1 iso 0 dist 4.72125 6.3489 6.42608 5.82185 6.67882 5.75555 numMergedOcc 0
31 mol 293 unq 1 iso 1 dist 6.42608 6.3489 4.72125 5.75555 6.67882 5.82185 numMergedOcc 0
32 mol 293 unq 1 iso 0 dist 7.41524 5.34794 6.42608 4.27008 6.67882 5.75555 numMergedOcc 0
33 mol 293 unq 1 iso 1 dist 6.42608 5.34794 7.41524 5.75555 6.67882 4.27008 numMergedOcc 0
