0 mol 1 unq 0 iso 0 dist 8.99695 5.74563 7.73435 12.6991 10.5521 8.26708 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.99695 5.74563 7.73435 11.3343 7.4817 6.09918 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.95438 5.74563 5.71995 12.6991 7.15595 8.26708 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.95438 5.74563 5.71995 11.3343 7.63941 6.09918 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.15652 6.14164 9.40479 11.6497 11.2106 6.72502 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.44893 11.8013 9.40479 9.79529 11.2106 6.72502 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17687 7.52817 7.31982 10.9711 5.64171 8.44903 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.84042 7.46124 5.51624 17.0174 11.6865 9.81831 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.84042 7.46124 5.51624 16.0997 7.64463 9.12858 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.84042 7.46124 5.51624 14.0321 8.29171 9.4523 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.39026 4.89837 9.92553 12.4099 11.8348 8.67766 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.39026 4.89837 9.92553 11.8462 15.0307 8.0831 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.51895 5.8592 7.76594 12.8277 7.21005 9.15431 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.51895 5.8592 7.76594 12.2125 11.5688 6.92648 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.51895 5.8592 7.76594 12.6224 15.7796 9.29384 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 8.74174 12.5106 7.3546 14.367 6.94217 8.38738 numMergedOcc 0
16 mol 237 unq 0 iso 0 dist 9.57858 8.43171 9.53139 15.1799 10.2142 9.4811 numMergedOcc 0
17 mol 237 unq 1 iso 0 dist 9.57858 8.43171 9.53139 10.8483 5.12181 6.50471 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.5826 12.4563 9.89583 15.6128 14.1055 5.52379 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.45457 15.7765 8.55481 15.6786 6.28227 6.53679 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 9.45457 15.7765 8.55481 12.196 5.25252 7.50201 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.43941 5.00301 6.47194 11.1938 6.6525 6.70815 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 8.43941 5.00301 6.47194 9.2067 5.27959 7.99477 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 9.91954 14.6588 5.74568 14.4139 6.84156 6.04162 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 9.91954 14.6588 5.74568 15.885 9.37297 6.14323 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 5.78275 5.94806 7.41079 7.77765 12.0308 9.13907 numMergedOcc 0
