0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 17.4352 9.81983 7.5901 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.26877 4.16088 7.16443 14.2257 7.11491 12.9941 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.99434 8.93697 7.16443 11.0398 7.11491 12.9941 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.49794 4.09894 7.08628 13.7393 7.1829 13.0328 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.10222 8.4264 7.08628 11.0408 7.1829 13.0328 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.81735 6.24596 9.03391 5.5226 8.75957 11.5435 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.0681 13.2911 9.40835 15.6049 9.83914 5.11693 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.65972 13.7118 9.11491 8.69896 6.86517 6.49291 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 6.65972 13.7118 9.11491 10.3307 8.33791 7.82761 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 4.2253 5.79235 5.82384 10.3307 7.38548 8.45612 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 4.2253 8.29654 7.15907 10.3307 7.38548 4.58851 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.66427 10.6818 6.54289 6.38363 8.25144 5.75469 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.66427 6.24598 7.52869 6.38363 8.25144 7.66862 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.66427 12.0327 9.18945 6.38363 8.25144 11.7978 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 7.51319 12.8729 5.61151 16.5205 9.13593 5.75469 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 8.49887 12.8729 6.54289 16.5205 8.25144 5.75469 numMergedOcc 0
16 mol 85 unq 5 iso 0 dist 8.49887 14.5743 7.52869 16.5205 8.25144 7.66862 numMergedOcc 0
17 mol 85 unq 6 iso 0 dist 8.49887 13.0766 9.18945 16.5205 8.25144 11.7978 numMergedOcc 0
18 mol 85 unq 7 iso 0 dist 9.43839 3.97167 5.61151 6.53627 9.13593 5.75469 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.06007 14.9849 7.6077 10.3139 4.51777 8.00091 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 8.06007 14.9849 7.6077 7.04147 4.9606 9.86823 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 9.13587 11.6584 6.17074 11.8686 9.9042 8.68853 numMergedOcc 0
22 mol 193 unq 1 iso 0 dist 9.13587 11.6584 6.17074 5.88692 6.21262 5.97706 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 10.6769 9.31434 8.57314 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 4.95596 8.9423 6.01404 11.9198 8.79261 4.39689 numMergedOcc 0
25 mol 286 unq 0 iso 0 dist 8.08382 10.4495 9.81574 8.38969 9.21276 9.29057 numMergedOcc 0
