0 mol 41 unq 0 iso 0 dist 8.91418 11.3802 9.22814 6.78868 6.73801 4.65104 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.91418 11.3802 9.22814 7.10946 6.42834 14.2155 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 6.0961 15.2353 9.22814 12.0084 6.73801 4.65104 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 6.0961 15.2353 9.22814 4.08339 6.42834 14.2155 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 5.44714 10.6782 9.20053 9.69428 7.33541 6.30715 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.50886 6.76815 6.06039 5.21101 9.83981 11.1547 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 7.25217 11.7727 9.9778 5.21101 6.13559 9.72019 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 7.25217 6.76815 9.36502 5.21101 6.13559 11.1547 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 6.96057 9.38895 6.27701 3.88006 6.51395 9.72019 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 7.65559 11.9416 8.8048 4.7671 8.30984 8.86946 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.56248 5.02687 9.71921 7.6477 8.41245 4.24035 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 9.56248 5.02687 9.71921 5.04427 6.64779 5.66096 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.70025 5.54298 7.39743 6.02828 8.9289 9.06982 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.42374 12.1148 6.35305 8.11161 7.10526 4.92804 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 9.42374 11.6178 9.23348 8.11161 7.10526 5.04697 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.79085 11.2066 9.94653 9.77057 7.10413 5.0625 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 7.79085 6.71409 7.97572 9.77057 7.10413 4.86592 numMergedOcc 0
17 mol 232 unq 2 iso 0 dist 6.48753 12.4884 9.94653 9.30551 7.10413 5.0625 numMergedOcc 0
18 mol 232 unq 3 iso 0 dist 6.48753 8.37849 7.97572 9.30551 7.10413 4.86592 numMergedOcc 0
19 mol 232 unq 4 iso 0 dist 7.83802 15.1401 9.94653 10.6834 7.10413 5.0625 numMergedOcc 0
20 mol 232 unq 5 iso 0 dist 7.83802 11.9221 7.97572 10.6834 7.10413 4.86592 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 5.18952 8.96217 9.84931 10.2859 8.08764 5.7899 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 5.648 8.96217 5.58605 10.2859 9.01462 5.7899 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.12793 9.26814 9.13209 4.57255 8.87606 8.55409 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 6.21208 5.61757 9.13209 4.44552 8.87606 8.55409 numMergedOcc 0
