0 mol 64 unq 0 iso 0 dist 9.5663 12.0987 5.66803 11.197 8.61926 4.56868 5.40109 9.23947 8.95689 6.90629 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 7.40582 15.2733 8.15664 10.4931 6.00131 6.85223 16.1172 8.96747 4.92054 10.2475 numMergedOcc 0
2 mol 165 unq 0 iso 0 dist 7.22838 5.97663 6.85551 13.2131 8.4082 10.9999 6.77685 5.79029 6.57529 6.84726 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 9.5214 4.12631 8.72323 5.31253 9.16691 5.9767 10.1199 6.33621 11.2255 12.1699 numMergedOcc 0
4 mol 204 unq 0 iso 0 dist 6.58174 10.9794 6.20044 4.71843 9.01377 13.2711 11.4894 9.23676 4.92804 14.3965 numMergedOcc 0
5 mol 204 unq 1 iso 0 dist 6.58174 9.00243 8.41232 4.71843 9.01377 10.5475 11.4894 9.23676 5.04697 14.3965 numMergedOcc 0
6 mol 226 unq 0 iso 0 dist 6.3687 4.52889 8.74399 11.8345 7.45381 12.3027 6.62409 5.3747 7.20864 5.70052 numMergedOcc 0
7 mol 239 unq 0 iso 0 dist 8.49961 13.284 8.48545 5.89364 9.51945 9.75577 9.7952 6.91534 9.08479 9.56006 numMergedOcc 0
8 mol 239 unq 1 iso 0 dist 8.49961 13.284 8.48545 5.89364 9.51945 9.75577 10.1967 8.67704 5.88166 6.62818 numMergedOcc 0
9 mol 266 unq 0 iso 0 dist 9.46926 4.95934 8.8646 8.76358 5.45375 8.73313 15.6565 9.54381 14.5123 6.99137 numMergedOcc 0
10 mol 266 unq 1 iso 0 dist 9.46926 4.95934 8.8646 10.6001 9.9145 13.3737 15.6565 9.54381 14.5123 11.2401 numMergedOcc 0
11 mol 273 unq 0 iso 0 dist 7.29081 12.2394 5.78262 9.70951 6.59786 8.67797 6.85615 9.57659 12.1916 7.87765 numMergedOcc 0
12 mol 273 unq 1 iso 0 dist 7.29081 12.2394 5.78262 9.70951 6.59786 8.67797 9.64596 7.8424 7.70478 6.45094 numMergedOcc 0
13 mol 273 unq 2 iso 0 dist 7.29081 12.2394 5.78262 5.35494 7.96519 13.2599 6.85615 9.57659 12.1916 8.14134 numMergedOcc 0
14 mol 273 unq 3 iso 0 dist 7.29081 12.2394 5.78262 5.35494 7.96519 13.2599 9.64596 7.8424 7.70478 10.826 numMergedOcc 0
15 mol 273 unq 4 iso 0 dist 7.29081 7.5139 7.6489 9.70951 6.59786 9.47855 6.85615 9.57659 5.91118 7.87765 numMergedOcc 0
16 mol 273 unq 5 iso 0 dist 7.29081 7.5139 7.6489 9.70951 6.59786 9.47855 9.64596 7.8424 4.59769 6.45094 numMergedOcc 0
17 mol 273 unq 6 iso 0 dist 7.29081 7.5139 7.6489 5.35494 7.96519 10.9195 6.85615 9.57659 5.91118 8.14134 numMergedOcc 0
18 mol 273 unq 7 iso 0 dist 7.29081 7.5139 7.6489 5.35494 7.96519 10.9195 9.64596 7.8424 4.59769 10.826 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 4.49395 9.47966 7.872 12.0595 7.61398 9.51445 9.67478 6.46935 9.75573 7.54191 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 4.49395 6.49869 6.32984 12.0595 7.61398 11.5961 9.67478 6.46935 5.78887 7.54191 numMergedOcc 0
