0 mol 15 unq 0 iso 0 dist 6.88546 12.7322 6.03257 15.2388 10.1154 6.42748 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.88546 12.7322 6.03257 8.9856 4.29582 7.48342 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.78918 10.8117 7.25951 6.53817 5.67637 9.78331 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 6.80314 10.8117 7.92012 6.53817 4.03817 9.78331 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.3964 11.3328 6.72323 12.9306 8.52463 9.41441 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.3964 11.3328 6.72323 12.6611 5.11617 6.73939 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 9.98746 7.19218 7.48846 14.0851 4.55437 9.6782 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 6.93893 12.671 8.66165 12.2123 10.1024 5.73743 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.74593 8.27358 5.50508 12.3285 9.52327 5.9465 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.74593 8.27358 5.50508 15.1078 11.641 6.97962 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 5.74593 8.27358 5.50508 11.2787 7.34683 9.95342 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 7.98039 9.83193 7.14031 14.7527 11.3905 5.78706 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 7.98039 9.83193 7.14031 15.0468 14.2646 7.23884 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 7.98039 9.83193 7.14031 9.49799 4.67519 5.59328 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.98039 9.83193 7.14031 8.20865 10.4027 7.5242 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 6.56978 12.6896 9.5057 13.0766 10.6848 7.01812 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 6.56978 12.6896 9.5057 16.6273 15.3454 8.30845 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 9.2062 13.32 8.88394 9.0361 4.48396 8.31932 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.32407 5.9261 9.73158 10.482 10.7293 6.28565 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 6.48695 5.9261 7.59327 10.482 7.29399 6.28565 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.4751 6.4423 5.25109 6.01711 11.5561 9.61462 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 5.75085 6.4423 8.21618 6.01711 10.844 9.61462 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.03403 5.80215 5.94379 10.6801 7.16549 6.59025 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 8.27761 17.7633 9.8664 10.8093 4.9377 9.05071 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.25162 15.3266 9.8664 15.4361 12.3508 8.50102 numMergedOcc 0
25 mol 232 unq 2 iso 0 dist 9.25162 15.3266 9.8664 14.8591 8.80479 9.40808 numMergedOcc 0
26 mol 271 unq 0 iso 0 dist 5.75889 6.38496 5.92274 8.32351 5.53238 8.98576 numMergedOcc 0
27 mol 271 unq 1 iso 0 dist 5.75889 6.38496 5.92274 12.4662 9.1619 8.92636 numMergedOcc 0
28 mol 271 unq 2 iso 0 dist 7.03848 9.47905 5.92274 11.4211 5.53238 8.98576 numMergedOcc 0
29 mol 271 unq 3 iso 0 dist 7.03848 9.47905 5.92274 15.953 9.1619 8.92636 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 9.38952 5.87081 6.73712 8.40961 6.19336 9.76787 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 7.42529 7.98547 6.73712 12.1637 6.19336 9.76787 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 4.87349 6.50962 7.34931 7.34344 4.50325 6.78191 numMergedOcc 0
