0 mol 45 unq 0 iso 0 dist 8.43515 6.947 9.17045 6.47205 6.99408 10.9036 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.43515 4.86452 6.32012 6.47205 6.99408 5.19805 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.52979 11.2457 5.26018 13.1241 7.18176 9.26324 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 8.52979 10.6296 7.1203 13.1241 7.18176 6.22409 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.24378 5.42886 5.56964 11.2646 8.97793 11.2136 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.24378 5.42886 5.56964 9.43349 8.19682 7.5192 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.34401 7.25766 9.35727 5.64486 8.3586 5.96441 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.61066 5.87235 6.04412 10.3807 6.50039 5.97684 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 4.7712 8.99949 8.49634 6.91348 9.45501 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.44766 4.7712 8.99949 5.0492 9.51418 9.03202 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.5778 12.5781 5.57904 17.082 8.6355 7.26771 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.11046 9.74941 6.87299 12.3238 8.33261 5.16833 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 7.96375 5.71019 7.75394 10.0732 7.90031 6.06154 numMergedOcc 0
13 mol 198 unq 1 iso 0 dist 7.96375 5.71019 7.75394 5.75622 7.21533 4.83589 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.05754 13.0201 6.21273 9.9115 6.84247 5.33649 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.05754 13.0201 6.21273 5.53308 6.99002 12.5011 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.81925 13.6437 5.47561 4.95108 6.82208 11.3364 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 5.40961 7.88016 8.98668 11.018 6.83797 13.6264 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 8.74174 10.8145 8.98668 12.854 6.83797 13.6264 numMergedOcc 0
19 mol 241 unq 2 iso 0 dist 5.57621 5.14928 8.98668 8.63376 6.83797 13.6264 numMergedOcc 0
20 mol 241 unq 3 iso 0 dist 8.28853 10.7582 8.98668 5.64355 6.83797 13.6264 numMergedOcc 0
21 mol 241 unq 4 iso 0 dist 8.71739 14.7833 8.98668 4.56995 6.83797 13.6264 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.0157 6.08224 7.72708 9.45521 8.96876 6.94174 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.14812 8.01298 8.40766 4.7348 6.49982 5.70545 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.62414 8.86677 8.83775 13.9754 6.35287 9.59763 numMergedOcc 0
