0 mol 21 unq 0 iso 0 dist 9.19322 7.31253 10.4247 8.7443 13.678 4.71732 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.10063 9.67926 4.49191 7.63824 11.4519 10.9551 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.19554 7.87317 5.64203 6.35997 5.93713 7.58092 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.66461 7.77714 5.82846 6.77802 5.29743 6.38985 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.81136 6.46118 5.82846 9.48328 8.75048 9.12054 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.57528 7.37244 5.50549 9.2397 8.45962 4.97794 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.43893 6.22956 5.73441 8.39335 9.69493 10.0772 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.43893 9.51587 5.57087 8.39335 9.69493 8.43579 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.22704 8.21723 6.36131 6.29267 6.51961 8.33013 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 9.22704 8.21723 6.36131 9.64361 9.91821 4.96316 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 9.01608 8.38367 6.75301 8.51084 8.4163 4.21801 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 9.01608 8.38367 6.75301 5.53271 7.9342 10.0002 numMergedOcc 0
12 mol 111 unq 2 iso 0 dist 9.01608 5.05141 6.13451 8.51084 8.4163 10.3018 numMergedOcc 0
13 mol 111 unq 3 iso 0 dist 9.01608 5.05141 6.13451 5.53271 7.9342 4.88926 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.26609 5.38954 5.13142 5.94465 6.41211 5.11935 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.15628 8.96469 7.72755 5.91643 4.5975 4.17025 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.94593 9.83634 19.7101 6.51748 6.50596 15.7254 numMergedOcc 0
17 mol 158 unq 1 iso 0 dist 9.49329 9.83634 9.82006 6.51748 12.3168 15.7254 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.76533 9.98753 9.09461 6.23243 5.05766 10.6705 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 6.50096 9.99681 8.37757 6.45095 5.02086 12.9722 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 8.27169 8.31695 6.41161 8.7499 12.2453 7.07475 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.88518 7.42888 9.0655 4.98907 13.3447 8.9947 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.4961 6.55208 15.1918 9.2684 15.5294 10.1478 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 8.08479 6.55208 14.4541 9.2684 12.1427 10.1478 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.23009 6.6112 6.79888 8.65363 8.9978 9.89492 numMergedOcc 0
25 mol 294 unq 1 iso 0 dist 9.23009 6.6112 6.79888 6.44588 5.13965 5.71856 numMergedOcc 0
26 mol 294 unq 2 iso 0 dist 9.23009 8.34193 12.8482 8.65363 8.9978 9.32362 numMergedOcc 0
27 mol 294 unq 3 iso 0 dist 9.23009 8.34193 12.8482 6.44588 5.13965 8.52592 numMergedOcc 0
28 mol 294 unq 4 iso 0 dist 9.23009 8.35722 7.05161 8.65363 8.9978 4.45227 numMergedOcc 0
29 mol 294 unq 5 iso 0 dist 9.23009 8.35722 7.05161 6.44588 5.13965 4.99494 numMergedOcc 0
