0 mol 7 unq 0 iso 0 dist 8.19144 5.77391 7.31201 8.94874 9.17096 7.21217 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.84459 10.3415 7.31201 13.4081 9.17096 7.21217 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.41365 5.65405 5.02241 10.4186 10.8658 6.59893 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.41365 5.65405 5.02241 6.10175 10.352 5.59773 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.58062 11.1785 5.81965 4.85152 5.02124 9.514 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.58062 10.9352 7.06013 4.85152 5.02124 7.84888 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 9.40225 5.66289 6.27641 6.67598 10.3893 7.30021 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 7.49255 5.69897 6.27641 11.986 10.3893 7.30021 numMergedOcc 0
8 mol 156 unq 2 iso 0 dist 4.94012 4.68187 6.27641 11.5769 10.3893 7.30021 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 9.61621 7.67708 6.15769 13.7994 5.45144 7.32478 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 9.61621 7.67708 6.15769 16.8966 10.0346 9.48439 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.57161 9.20027 6.99002 4.3362 7.84277 7.31105 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.97425 11.8217 7.06793 18.3068 11.7838 6.56437 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.97425 11.8217 7.06793 16.4902 9.57742 6.23882 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 9.97425 11.8217 7.06793 14.6367 8.30442 9.53131 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 9.97425 11.8217 7.06793 7.7163 5.46434 9.34636 numMergedOcc 0
16 mol 224 unq 4 iso 0 dist 8.39753 11.9904 7.06793 18.2476 11.7838 6.56437 numMergedOcc 0
17 mol 224 unq 5 iso 0 dist 8.39753 11.9904 7.06793 14.6984 9.57742 6.23882 numMergedOcc 0
18 mol 224 unq 6 iso 0 dist 8.39753 11.9904 7.06793 15.6258 8.30442 9.53131 numMergedOcc 0
19 mol 224 unq 7 iso 0 dist 8.39753 11.9904 7.06793 9.06201 5.46434 9.34636 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.72415 6.53984 6.91569 6.32593 5.1967 9.75174 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 6.52138 7.07333 7.19465 14.2163 14.5897 7.7993 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 6.52138 7.07333 7.19465 10.795 8.77813 6.10761 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 7.48361 6.64096 7.14834 10.7763 9.09314 5.36776 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.418 15.6082 7.50578 19.9021 10.8128 5.90381 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 8.10823 10.5525 7.50578 15.906 10.8128 5.90381 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.89613 5.56999 6.50589 7.24089 4.05661 6.00877 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 9.89613 5.56999 6.50589 10.0585 7.47324 8.66451 numMergedOcc 0
