0 mol 17 unq 0 iso 0 dist 9.5937 9.78918 14.6638 8.6745 3.79709 11.7645 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 6.80314 12.7368 8.6745 3.79709 11.6437 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.34681 9.78918 16.9932 8.6745 11.8805 11.7645 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 7.34681 6.80314 13.5569 8.6745 11.8805 11.6437 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 8.07914 7.30397 4.89282 7.30688 10.1117 10.3978 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 8.07914 7.30397 4.89282 6.70786 9.53082 5.35749 numMergedOcc 0
6 mol 21 unq 2 iso 0 dist 8.07914 7.30397 4.89282 8.16395 9.20888 5.80193 numMergedOcc 0
7 mol 29 unq 0 iso 0 dist 5.36278 8.9204 7.29489 9.64034 5.97852 12.9694 numMergedOcc 0
8 mol 29 unq 1 iso 0 dist 5.36278 8.9204 7.29489 8.26334 11.1943 8.16431 numMergedOcc 0
9 mol 29 unq 2 iso 0 dist 7.50258 9.19374 5.07025 6.04161 5.97852 4.05918 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 9.53081 6.42242 5.84184 6.68961 5.93341 3.90503 numMergedOcc 0
11 mol 53 unq 0 iso 0 dist 6.70095 8.5021 6.52918 9.73556 6.98415 12.1729 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 8.27009 9.42982 14.2762 6.44825 11.2455 8.81493 numMergedOcc 0
13 mol 67 unq 1 iso 0 dist 8.27009 8.17929 4.26531 6.44825 11.2455 8.39222 numMergedOcc 0
14 mol 67 unq 2 iso 0 dist 8.27009 5.63802 6.56501 6.44825 11.2455 5.26394 numMergedOcc 0
15 mol 67 unq 3 iso 0 dist 5.80736 9.42982 7.47077 6.44825 3.83735 8.81493 numMergedOcc 0
16 mol 67 unq 4 iso 0 dist 5.80736 8.17929 5.92208 6.44825 3.83735 8.39222 numMergedOcc 0
17 mol 67 unq 5 iso 0 dist 5.80736 5.63802 4.53519 6.44825 3.83735 5.26394 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 8.57774 11.7456 9.30433 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 8.57774 11.7456 4.28744 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.88178 7.50264 13.5143 5.20195 7.45747 6.06606 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 6.51243 3.95884 4.8427 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 8.72323 6.33621 11.2255 5.03696 11.109 6.28642 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 9.67711 10.9652 11.4851 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 6.19457 5.75085 6.62952 9.67711 10.9652 12.9811 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 6.20044 9.23676 4.92804 5.81438 7.35194 6.65648 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 8.41232 9.23676 5.04697 5.81438 5.87202 6.65648 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 6.50586 3.73699 5.19196 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 8.74399 5.3747 7.20864 8.31266 5.27153 5.99712 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 8.8646 9.54381 14.5123 8.62843 9.70494 14.1115 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 5.78262 9.57659 12.1916 8.66133 5.53908 14.3854 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 5.78262 9.57659 12.1916 6.95569 12.7125 10.292 numMergedOcc 0
32 mol 273 unq 2 iso 0 dist 5.78262 7.8424 7.70478 8.66133 5.53908 9.95392 numMergedOcc 0
33 mol 273 unq 3 iso 0 dist 5.78262 7.8424 7.70478 6.95569 12.7125 12.1867 numMergedOcc 0
34 mol 273 unq 4 iso 0 dist 7.6489 9.57659 5.91118 8.66133 12.7274 14.3854 numMergedOcc 0
35 mol 273 unq 5 iso 0 dist 7.6489 9.57659 5.91118 6.95569 10.8576 10.292 numMergedOcc 0
36 mol 273 unq 6 iso 0 dist 7.6489 7.8424 4.59769 8.66133 12.7274 9.95392 numMergedOcc 0
37 mol 273 unq 7 iso 0 dist 7.6489 7.8424 4.59769 6.95569 10.8576 12.1867 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 7.872 6.46935 9.75573 5.49829 3.05975 7.30779 numMergedOcc 0
39 mol 285 unq 1 iso 0 dist 7.872 6.46935 9.75573 6.24134 11.5704 4.2225 numMergedOcc 0
40 mol 285 unq 2 iso 0 dist 6.32984 6.46935 5.78887 5.49829 5.76392 7.30779 numMergedOcc 0
41 mol 285 unq 3 iso 0 dist 6.32984 6.46935 5.78887 6.24134 4.4744 4.2225 numMergedOcc 0
