0 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 11.4727 4.54105 6.40513 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 5.71129 6.35398 11.8632 4.69415 6.97875 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.55838 9.96691 6.36086 12.6609 5.9436 7.45675 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.49995 5.69671 9.49454 10.6171 9.61054 8.26838 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.34823 5.3154 6.73586 9.82219 5.00632 6.85677 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.6561 10.0114 9.97654 16.8688 11.7971 9.89098 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.6561 5.27217 7.71248 8.06614 5.86611 7.15203 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 9.62943 4.12904 9.07943 6.89529 10.8796 6.56115 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.21194 9.22906 9.61462 6.20851 6.4423 6.01711 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.07527 9.32503 5.9176 18.5315 14.1039 9.63295 numMergedOcc 0
10 mol 188 unq 0 iso 0 dist 9.37017 4.04545 8.10214 9.4789 10.4103 7.95028 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 25.1804 16.5925 7.7292 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 7.13099 5.0241 7.59632 8.55971 4.06981 9.68515 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 7.13099 5.0241 7.59632 7.26376 6.66401 8.09769 numMergedOcc 0
14 mol 219 unq 2 iso 0 dist 7.13099 5.0241 7.59632 11.2519 9.30251 6.75833 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 5.89818 4.82768 7.67576 11.4498 8.56453 8.69148 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 9.32543 4.82768 9.82371 11.4498 13.6076 8.69148 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 7.81769 8.78003 7.48463 12.511 10.5593 9.94212 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 7.66694 5.33327 7.48463 11.8532 10.5593 9.94212 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 14.7783 15.5413 7.47238 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.26887 10.9854 8.67864 18.8534 16.6173 8.89538 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.63176 13.5559 9.96262 14.9133 7.71103 7.46199 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 6.73794 7.10817 6.54753 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.76945 5.25853 8.91712 6.90956 8.32567 7.30618 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.76945 5.25853 8.91712 11.4889 7.04567 9.22306 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.76945 5.25853 8.91712 6.90956 8.32567 7.30618 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.76945 5.25853 8.91712 11.4889 7.04567 9.22306 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.76945 5.25853 8.91712 6.90956 8.32567 7.30618 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.76945 5.25853 8.91712 11.4889 7.04567 9.22306 numMergedOcc 0
