0 mol 1 unq 0 iso 0 dist 8.61411 9.44115 5.972 5.55519 5.74199 9.78935 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.99404 8.95503 5.30796 7.76098 9.1686 12.0705 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 7.99404 8.95503 5.30796 8.20812 8.99402 6.05338 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 7.99404 8.95503 5.30796 9.87224 7.3489 12.0846 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.56648 9.05346 5.1298 10.143 7.88676 9.47421 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 11.0282 8.23606 18.6423 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 8.04327 7.02854 10.6618 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 8.43093 6.94997 5.04401 8.44581 8.39046 6.15896 numMergedOcc 0
8 mol 86 unq 1 iso 0 dist 8.43093 6.94997 5.04401 5.52734 8.76689 10.298 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 5.33644 4.74654 5.17028 6.02095 6.81741 9.46619 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.97361 7.90328 5.07584 6.46237 5.61016 9.35867 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.52125 7.90328 7.59628 5.60763 7.11187 10.4737 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.52125 7.90328 7.59628 13.5152 6.60356 12.0659 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 9.22427 8.07915 12.3565 14.778 9.71692 20.8727 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.32504 7.97801 12.2713 14.922 9.73708 20.8237 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 13.34 6.21267 20.7513 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 9.92635 7.42108 16.8061 13.9426 7.41743 20.4808 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 7.56537 9.62514 10.1284 5.79567 8.51118 14.8934 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 9.89975 9.62514 16.3081 5.79567 6.5 14.8934 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 7.15853 4.61671 13.931 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 6.2441 8.27907 11.0649 5.7173 8.44004 10.5954 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 7.00921 4.67452 10.6734 numMergedOcc 0
22 mol 219 unq 1 iso 0 dist 9.52151 7.15624 10.277 10.3376 9.86916 15.0367 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.10096 9.31669 6.05562 6.92911 7.20862 7.45381 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 6.14732 8.82471 6.07589 7.27568 5.2851 6.20188 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.46728 9.46582 6.23871 4.13744 5.57184 6.40309 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.46728 9.77231 10.1372 4.13744 5.57184 7.87164 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.68803 5.66792 7.4709 6.54316 9.59937 11.2238 numMergedOcc 0
28 mol 245 unq 0 iso 0 dist 6.58637 8.48687 5.77932 5.43086 6.41862 11.0633 numMergedOcc 0
29 mol 245 unq 1 iso 0 dist 6.58637 8.48687 5.77932 8.73552 9.85927 13.2431 numMergedOcc 0
30 mol 245 unq 2 iso 0 dist 5.48167 8.48687 4.45879 5.43086 8.69377 11.0633 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 6.92619 8.91916 12.0867 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.22111 8.46351 9.53336 9.98638 9.45077 17.321 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 5.22111 8.46351 9.53336 6.92619 4.55368 12.0867 numMergedOcc 0
