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 7 unq 2 iso 0 dist 7.60712 6.02702 5.79279 6.55304 9.9241 6.14469 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 6.79837 6.55811 9.84125 6.02809 11.7037 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.79837 7.36018 6.12805 6.02809 11.7037 9.93542 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 8.07369 8.64915 9.84125 4.98827 11.7037 7.35972 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.07369 8.17347 6.12805 4.98827 11.7037 9.93542 numMergedOcc 0
7 mol 15 unq 0 iso 0 dist 7.876 7.48342 6.25997 4.29582 9.41935 6.03257 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.97324 7.75618 10.3824 4.97119 12.8082 9.95212 numMergedOcc 0
9 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 10.0815 6.85224 5.86181 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 9.8099 7.51452 5.095 13.457 8.04657 6.3253 numMergedOcc 0
11 mol 20 unq 2 iso 0 dist 9.8099 7.51452 5.095 11.3821 9.58483 5.80568 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 9.61998 7.33768 4.86245 6.66749 11.6758 8.00171 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 9.61998 9.01567 12.4877 6.66749 11.6758 4.2121 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.61998 7.29868 14.5906 6.66749 11.6758 6.72323 numMergedOcc 0
15 mol 54 unq 0 iso 0 dist 9.22021 6.14538 11.3729 4.24786 12.6224 9.17082 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 7.19533 5.73743 4.83386 10.1024 9.69997 8.66165 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.48658 5.9465 6.60364 8.70803 9.81484 6.77241 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.48658 5.9465 6.60364 9.52327 5.77527 5.50508 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 7.20279 9.95342 6.60364 7.52639 9.81484 6.77241 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 7.20279 9.95342 6.60364 7.34683 5.77527 5.50508 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 5.42531 6.84692 9.5057 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 4.5985 7.80975 4.71426 4.86592 5.74152 5.75014 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 8.20656 7.10378 4.71426 8.4128 6.84692 9.5057 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 8.20656 7.10378 4.71426 7.96533 5.74152 5.75014 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.47008 5.94469 11.0205 9.69409 17.9048 9.92471 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.8949 9.20822 10.9723 10.6582 8.20201 8.10254 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 5.29811 5.50492 5.01275 7.6169 11.2975 7.95359 numMergedOcc 0
28 mol 244 unq 1 iso 0 dist 5.29811 5.50492 5.01275 5.17744 6.61951 6.22122 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.82018 8.49177 5.91142 4.60101 6.83684 7.16346 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.92434 9.85289 4.67674 5.29529 5.0002 6.88827 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 6.93875 9.85289 14.1093 5.29529 11.9154 6.88827 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 6.0868 9.85289 13.6948 5.29529 10.6062 6.88827 numMergedOcc 0
33 mol 274 unq 3 iso 0 dist 6.32856 9.85289 13.6849 5.29529 9.1028 6.88827 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 8.65577 9.76787 7.52635 6.19336 8.64557 6.73712 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 8.06073 6.78191 8.34088 4.50325 11.7113 7.34931 numMergedOcc 0
