0 mol 5 unq 0 iso 0 dist 7.15734 8.88048 13.8842 5.2522 9.19117 11.3768 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.15734 8.88048 13.8842 5.13643 8.59504 13.658 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.15734 8.88048 13.8842 10.0436 7.75279 18.7421 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 11.426 6.77277 20.6299 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 12.4741 7.03264 7.32896 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 7.8986 9.75299 8.49962 12.4741 7.03264 10.9975 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.24183 5.41357 7.05519 8.05994 7.03264 7.32896 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 7.24183 9.30042 8.49962 8.05994 7.03264 10.9975 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 7.28156 6.11833 6.96209 4.15778 9.40113 10.1837 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 9.18139 7.12201 6.96209 5.93563 9.40113 10.1837 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.6582 9.23104 12.4825 11.5137 6.00667 12.8531 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.17734 9.23104 7.75771 11.5137 8.00919 12.8531 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.8538 8.95953 12.2995 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 7.35484 8.14122 9.80817 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 6.68491 8.40945 10.4802 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.86207 9.89039 9.09963 8.20682 7.81237 14.2856 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 7.86207 8.57174 14.3078 6.68491 8.40945 15.1632 numMergedOcc 0
17 mol 220 unq 3 iso 0 dist 7.86207 8.57174 14.3078 8.20682 7.81237 9.51136 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 12.0975 8.65729 12.4537 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 5.97988 8.81063 10.0093 11.8916 9.9137 19.2132 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 6.93622 9.41513 11.0677 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 9.74679 8.95246 9.88553 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 6.51428 7.43391 4.69664 5.65728 5.97452 8.99869 numMergedOcc 0
23 mol 244 unq 2 iso 0 dist 6.51428 7.79787 13.4155 9.74679 8.95246 16.7003 numMergedOcc 0
24 mol 244 unq 3 iso 0 dist 6.51428 7.79787 13.4155 5.65728 5.97452 10.7223 numMergedOcc 0
25 mol 245 unq 0 iso 0 dist 8.26223 8.0848 4.03241 4.12698 9.55046 10.3387 numMergedOcc 0
26 mol 245 unq 1 iso 0 dist 8.26223 9.5096 4.20594 4.12698 9.55046 8.92774 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.91916 8.54422 6.40534 6.49658 9.06386 12.5916 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.91916 7.67473 9.57286 6.49658 9.06386 12.958 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 4.55368 8.54422 6.14631 6.49658 6.66413 12.5916 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 4.55368 7.67473 6.89689 6.49658 6.66413 12.958 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 9.64323 7.96955 13.1308 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 9.77392 9.62494 18.9489 9.64323 7.96955 16.3293 numMergedOcc 0
33 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 5.46443 9.64978 8.73645 numMergedOcc 0
34 mol 266 unq 3 iso 0 dist 6.58277 7.9555 3.93133 5.46443 9.64978 12.1372 numMergedOcc 0
35 mol 266 unq 4 iso 0 dist 8.42706 8.8646 3.93133 11.4451 9.64978 12.1372 numMergedOcc 0
36 mol 266 unq 5 iso 0 dist 8.12204 9.39714 5.91091 13.2572 9.64978 8.73645 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 6.75848 9.70022 10.5453 numMergedOcc 0
