0 mol 17 unq 0 iso 0 dist 9.5937 9.16861 10.7882 9.78918 14.6638 13.6968 8.6745 3.79709 8.74446 11.7645 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 9.16861 10.7882 6.80314 12.7368 14.9854 8.6745 3.79709 8.74446 11.6437 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.34681 9.16861 9.91874 9.78918 16.9932 13.6968 8.6745 11.8805 8.74446 11.7645 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 7.34681 9.16861 9.91874 6.80314 13.5569 14.9854 8.6745 11.8805 8.74446 11.6437 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.53081 8.80334 16.9756 6.42242 5.84184 12.8187 6.68961 5.93341 11.7517 3.90503 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 9.52061 7.65371 13.0969 7.32407 7.72162 6.34791 8.57774 11.7456 7.58174 9.30433 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 9.52061 7.65371 13.0969 6.48695 7.95267 6.62202 8.57774 11.7456 7.58174 4.28744 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.72323 9.16691 5.9767 6.33621 11.2255 12.1699 5.03696 11.109 9.05528 6.28642 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.19457 7.13078 3.96523 6.4751 9.13204 12.1204 9.67711 10.9652 11.7688 11.4851 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 6.19457 7.13078 3.96523 5.75085 6.62952 9.67838 9.67711 10.9652 11.7688 12.9811 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.20044 9.01377 13.2711 9.23676 4.92804 14.3965 5.81438 7.35194 9.00714 6.65648 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.41232 9.01377 10.5475 9.23676 5.04697 14.3965 5.81438 5.87202 9.00714 6.65648 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 8.74399 7.45381 12.3027 5.3747 7.20864 5.70052 8.31266 5.27153 11.6435 5.99712 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 9.54381 14.5123 6.99137 8.62843 9.70494 7.54682 14.1115 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 8.8646 9.9145 13.3737 9.54381 14.5123 11.2401 8.62843 9.70494 5.72821 14.1115 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 9.57659 12.1916 7.87765 8.66133 5.53908 8.0478 14.3854 numMergedOcc 0
16 mol 273 unq 1 iso 0 dist 5.78262 6.59786 8.67797 9.57659 12.1916 7.87765 6.95569 12.7125 10.0013 10.292 numMergedOcc 0
17 mol 273 unq 2 iso 0 dist 5.78262 6.59786 8.67797 7.8424 7.70478 6.45094 8.66133 5.53908 8.0478 9.95392 numMergedOcc 0
18 mol 273 unq 3 iso 0 dist 5.78262 6.59786 8.67797 7.8424 7.70478 6.45094 6.95569 12.7125 10.0013 12.1867 numMergedOcc 0
19 mol 273 unq 4 iso 0 dist 5.78262 7.96519 13.2599 9.57659 12.1916 8.14134 8.66133 5.53908 14.4172 14.3854 numMergedOcc 0
20 mol 273 unq 5 iso 0 dist 5.78262 7.96519 13.2599 9.57659 12.1916 8.14134 6.95569 12.7125 4.42663 10.292 numMergedOcc 0
21 mol 273 unq 6 iso 0 dist 5.78262 7.96519 13.2599 7.8424 7.70478 10.826 8.66133 5.53908 14.4172 9.95392 numMergedOcc 0
22 mol 273 unq 7 iso 0 dist 5.78262 7.96519 13.2599 7.8424 7.70478 10.826 6.95569 12.7125 4.42663 12.1867 numMergedOcc 0
23 mol 273 unq 8 iso 0 dist 7.6489 6.59786 9.47855 9.57659 5.91118 7.87765 8.66133 12.7274 8.0478 14.3854 numMergedOcc 0
24 mol 273 unq 9 iso 0 dist 7.6489 6.59786 9.47855 9.57659 5.91118 7.87765 6.95569 10.8576 10.0013 10.292 numMergedOcc 0
25 mol 273 unq 10 iso 0 dist 7.6489 6.59786 9.47855 7.8424 4.59769 6.45094 8.66133 12.7274 8.0478 9.95392 numMergedOcc 0
26 mol 273 unq 11 iso 0 dist 7.6489 6.59786 9.47855 7.8424 4.59769 6.45094 6.95569 10.8576 10.0013 12.1867 numMergedOcc 0
27 mol 273 unq 12 iso 0 dist 7.6489 7.96519 10.9195 9.57659 5.91118 8.14134 8.66133 12.7274 14.4172 14.3854 numMergedOcc 0
28 mol 273 unq 13 iso 0 dist 7.6489 7.96519 10.9195 9.57659 5.91118 8.14134 6.95569 10.8576 4.42663 10.292 numMergedOcc 0
29 mol 273 unq 14 iso 0 dist 7.6489 7.96519 10.9195 7.8424 4.59769 10.826 8.66133 12.7274 14.4172 9.95392 numMergedOcc 0
30 mol 273 unq 15 iso 0 dist 7.6489 7.96519 10.9195 7.8424 4.59769 10.826 6.95569 10.8576 4.42663 12.1867 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 7.872 7.61398 9.51445 6.46935 9.75573 7.54191 5.49829 3.05975 8.8752 7.30779 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 7.872 7.61398 9.51445 6.46935 9.75573 7.54191 6.24134 11.5704 10.6055 4.2225 numMergedOcc 0
33 mol 285 unq 2 iso 0 dist 6.32984 7.61398 11.5961 6.46935 5.78887 7.54191 5.49829 5.76392 8.8752 7.30779 numMergedOcc 0
34 mol 285 unq 3 iso 0 dist 6.32984 7.61398 11.5961 6.46935 5.78887 7.54191 6.24134 4.4744 10.6055 4.2225 numMergedOcc 0
