0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 8.43473 6.04832 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 9.68596 5.82034 5.03847 6.04832 6.14469 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 7.876 7.48342 6.25997 4.29582 9.41935 6.03257 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 10.0815 6.85224 5.86181 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.8099 7.51452 5.095 13.457 8.04657 6.3253 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.48658 5.9465 6.60364 8.70803 9.81484 6.77241 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.48658 5.9465 6.60364 9.52327 5.77527 5.50508 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.20279 9.95342 6.60364 7.52639 9.81484 6.77241 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.20279 9.95342 6.60364 7.34683 5.77527 5.50508 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 5.42531 6.84692 9.5057 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 4.5985 7.80975 4.71426 4.86592 5.74152 5.75014 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 8.20656 7.10378 4.71426 8.4128 6.84692 9.5057 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 8.20656 7.10378 4.71426 7.96533 5.74152 5.75014 numMergedOcc 0
13 mol 237 unq 0 iso 0 dist 8.8949 9.20822 10.9723 10.6582 8.20201 8.10254 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 5.29811 5.50492 5.01275 5.17744 6.61951 6.22122 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 9.82018 8.49177 5.91142 4.60101 6.83684 7.16346 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.92434 9.85289 4.67674 5.29529 5.0002 6.88827 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 8.65577 9.76787 7.52635 6.19336 8.64557 6.73712 numMergedOcc 0
