0 mol 37 unq 0 iso 0 dist 7.27697 10.3822 7.65758 18.2107 12.7745 8.98177 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.19084 9.89704 9.81193 8.99557 5.65462 8.55031 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.52378 11.0121 9.78973 10.8169 3.63144 9.52763 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.25041 6.27103 9.32664 13.7417 17.1697 9.67403 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.25041 6.27103 9.32664 10.7951 10.4547 7.28917 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.42195 8.63955 9.50228 11.8278 5.93743 6.98121 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.22984 11.2351 9.95103 18.1242 12.9454 8.52125 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 6.6157 8.46662 9.95103 14.1553 12.9454 8.52125 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 7.37771 10.5049 9.95103 13.0351 12.9454 8.52125 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.87901 8.22734 9.5002 6.16537 4.1431 6.71671 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.45931 5.49686 7.35385 6.52227 13.2639 6.95914 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.49728 13.8322 7.35385 19.5768 13.2639 6.95914 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 6.35397 5.49686 8.35864 6.52227 10.9097 6.95914 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.35424 8.0557 9.99783 12.4049 11.153 7.252 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 5.87056 9.22288 8.61546 7.49227 4.21811 6.14732 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.85568 9.22288 7.17024 7.49227 11.032 6.14732 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 9.55881 10.3528 8.61546 8.09975 4.21811 6.14732 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.68308 13.3058 4.68783 11.4043 4.20164 7.279 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 9.68308 13.3058 4.68783 13.8407 5.93404 8.43448 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 8.95444 9.56036 7.40057 17.595 15.2988 9.37687 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 7.53508 13.694 7.40057 22.4094 15.2988 9.37687 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.36891 10.1637 8.79637 12.8708 11.8793 4.75866 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 9.36891 10.1637 8.79637 12.1634 4.47851 7.87072 numMergedOcc 0
