0 mol 9 unq 0 iso 0 dist 9.93613 6.49896 5.55437 6.26276 7.28672 8.076 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 5.55187 5.38458 6.26276 5.60208 6.32226 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.99316 13.6843 8.83296 12.448 4.215 7.31784 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 7.49224 11.6623 9.92553 13.554 10.9279 6.76575 numMergedOcc 0
4 mol 163 unq 0 iso 0 dist 5.80513 3.64474 7.3546 13.1944 15.9955 9.79069 numMergedOcc 0
5 mol 163 unq 1 iso 0 dist 5.80513 3.64474 7.3546 9.86052 5.87447 9.27496 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 6.69054 9.6968 9.75627 14.451 11.6944 8.1536 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 8.4673 6.61278 7.32419 14.3353 11.2348 8.05247 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 8.4673 6.61278 7.32419 13.6335 8.94702 9.71028 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.93045 9.52773 8.12349 12.1826 6.16503 4.5271 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.93045 9.52773 8.12349 12.123 9.6472 7.02575 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.47107 11.4288 5.52678 13.3459 5.92931 6.37788 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 7.47107 15.4624 9.81666 13.3459 5.92931 8.7028 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.72444 5.77167 8.93185 11.2005 9.99277 8.3087 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.28454 7.01029 6.53728 13.2144 6.59663 8.20162 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 8.06435 6.68355 7.63812 12.5878 11.0622 6.07878 numMergedOcc 0
16 mol 237 unq 1 iso 0 dist 8.06435 6.68355 7.63812 13.5838 9.12884 7.80422 numMergedOcc 0
17 mol 237 unq 2 iso 0 dist 8.06435 6.68355 7.63812 8.42502 6.26206 5.06628 numMergedOcc 0
18 mol 237 unq 3 iso 0 dist 9.74081 12.7987 9.84466 17.2533 10.634 6.11495 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.15795 4.88527 6.47194 8.12414 8.09074 9.91199 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 7.77655 6.77784 5.91064 9.82413 7.09114 8.69826 numMergedOcc 0
