0 mol 26 unq 0 iso 0 dist 9.43688 9.08976 9.20028 17.0306 14.4709 9.25649 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.43688 9.08976 9.20028 11.9941 14.7942 9.36104 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.64424 9.08976 10.851 17.0306 14.0601 9.25649 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.64424 9.08976 10.851 11.9941 10.0032 9.36104 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.32784 8.60461 10.1348 5.85197 12.1352 5.38074 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.32784 8.60461 10.1348 7.47027 12.6932 9.07545 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 9.32784 8.60461 10.1348 5.11301 9.6147 6.77538 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.04064 6.11881 5.30537 11.3391 11.0154 7.4219 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.04064 6.11881 5.30537 9.78924 12.2901 7.30343 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.27407 5.77804 11.2152 3.74136 5.89661 7.85041 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.50959 9.02079 6.1956 4.91324 7.67321 5.38314 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 7.52211 7.9061 10.4043 5.78019 11.7393 5.1101 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 7.52211 4.48898 5.16833 5.78019 11.7393 7.01133 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 7.90441 6.36426 6.33611 4.52246 10.0165 5.1101 numMergedOcc 0
14 mol 147 unq 3 iso 0 dist 7.90441 7.06711 8.80049 4.52246 10.0165 7.01133 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.46608 7.08808 5.15225 10.7514 11.7092 7.04913 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.89388 7.06919 4.18777 11.1891 10.4239 7.01126 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.89388 7.06919 4.18777 5.28649 9.47843 6.58434 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.99149 8.22583 15.7228 5.80934 13.7117 5.49808 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 7.13192 9.06161 11.477 10.5008 16.2465 8.76185 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.27557 9.13022 13.2336 13.402 19.5363 7.61203 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.42047 6.59305 14.9109 8.22473 10.4767 8.6597 numMergedOcc 0
22 mol 255 unq 0 iso 0 dist 8.17286 7.60846 10.346 5.94208 9.65693 6.6475 numMergedOcc 0
