0 mol 26 unq 0 iso 0 dist 8.01238 5.43726 6.7142 8.06656 5.45023 7.90721 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.62881 9.82571 6.59716 13.6118 8.67827 6.98037 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 8.62881 14.1914 6.87506 13.6118 8.67827 6.9223 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 8.62881 14.1914 6.87506 19.9375 13.0818 7.0561 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.29506 8.09258 9.19977 15.4585 15.8624 7.8435 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.24843 13.069 9.19977 20.6404 15.8624 7.8435 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 6.58492 8.09258 7.28831 15.4585 14.7862 7.8435 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.63783 13.069 7.28831 20.6404 14.7862 7.8435 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.93497 4.03471 5.36587 10.2259 8.49846 7.34602 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.93424 16.16 9.27009 18.9107 12.612 6.99125 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.8891 7.18009 6.65731 11.2109 5.38571 6.77921 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.71806 8.22995 4.19371 10.264 5.92931 5.53324 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.00354 7.80528 7.7086 10.6803 6.59663 7.8744 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.33455 4.84686 7.77911 7.46311 9.35405 9.08151 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.26512 3.45727 8.95511 11.431 16.7674 8.88763 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.26512 3.45727 8.95511 9.26604 13.3917 6.43209 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 9.26512 3.45727 8.95511 11.226 9.38172 8.48769 numMergedOcc 0
17 mol 239 unq 3 iso 0 dist 5.82804 3.45727 5.85002 11.431 9.48848 8.88763 numMergedOcc 0
18 mol 239 unq 4 iso 0 dist 5.82804 3.45727 5.85002 9.26604 6.77384 6.43209 numMergedOcc 0
19 mol 239 unq 5 iso 0 dist 5.82804 3.45727 5.85002 11.226 11.9537 8.48769 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 8.35637 12.3685 8.09509 20.8872 17.2823 9.39658 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 8.35637 12.3685 8.09509 17.5211 12.0545 5.9974 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.75324 14.1341 9.31888 13.7605 7.16782 9.50634 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 5.62193 6.11441 9.63518 7.92391 8.62248 8.20485 numMergedOcc 0
24 mol 267 unq 0 iso 0 dist 6.55433 6.43871 6.27154 10.1669 4.61607 7.60505 numMergedOcc 0
