0 mol 28 unq 0 iso 0 dist 8.48456 8.79638 9.64948 8.32838 13.0211 6.42785 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.48456 8.79638 9.64948 11.6229 14.5796 5.75809 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.24073 6.42785 10.1805 8.32838 14.5877 8.79638 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.24073 6.42785 10.1805 8.39028 12.8275 5.75809 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.24422 5.75809 8.89273 11.6229 17.5979 8.79638 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.24422 5.75809 8.89273 8.39028 12.7836 6.42785 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.99724 5.75809 8.10455 11.6229 15.9976 8.79638 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.99724 5.75809 8.10455 8.39028 14.1171 6.42785 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 8.67141 6.38271 6.13409 5.43691 10.757 6.93709 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 4.50643 7.07773 9.30664 7.67336 11.9492 9.48195 numMergedOcc 0
10 mol 37 unq 0 iso 0 dist 9.21102 8.5893 12.5114 15.861 20.6778 8.22608 numMergedOcc 0
11 mol 37 unq 1 iso 0 dist 6.84257 8.5893 6.15909 15.861 13.5482 8.22608 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 7.67459 7.80117 3.83842 7.90905 10.5084 9.79386 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 7.62469 9.79386 10.7481 7.90905 13.3024 7.80117 numMergedOcc 0
14 mol 44 unq 0 iso 0 dist 6.11574 5.89913 4.94258 7.82906 10.2193 9.80946 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 8.87951 7.32699 5.81633 5.65467 10.8841 6.45933 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 7.88961 9.90758 5.87234 16.4417 12.2354 7.05964 numMergedOcc 0
17 mol 64 unq 0 iso 0 dist 5.45684 9.05343 7.81738 5.8441 7.76644 7.71528 numMergedOcc 0
18 mol 64 unq 1 iso 0 dist 7.76644 7.71528 7.81738 5.8441 5.45684 9.05343 numMergedOcc 0
19 mol 64 unq 2 iso 0 dist 7.66372 9.05343 5.92555 5.8441 9.99743 7.71528 numMergedOcc 0
20 mol 64 unq 3 iso 0 dist 9.99743 7.71528 5.92555 5.8441 7.66372 9.05343 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 7.88143 8.73798 13.2666 5.4823 10.5625 5.24616 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 6.62952 8.73798 8.734 5.4823 4.3521 5.24616 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 4.3521 5.24616 8.734 5.4823 6.62952 8.73798 numMergedOcc 0
24 mol 154 unq 0 iso 0 dist 6.86189 6.1247 6.89677 11.6042 14.4603 8.23311 numMergedOcc 0
25 mol 154 unq 1 iso 0 dist 8.48778 8.23311 6.62741 11.6042 12.3086 6.1247 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 9.08686 5.78626 3.86041 9.84252 13.1817 9.8417 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 5.73448 9.47133 5.9731 9.2376 10.0789 8.87934 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 5.73448 7.61537 3.69576 9.2376 10.0789 9.66687 numMergedOcc 0
29 mol 254 unq 2 iso 0 dist 9.54526 9.47133 11.7647 9.2376 17.1525 8.87934 numMergedOcc 0
30 mol 254 unq 3 iso 0 dist 9.54526 7.61537 9.17109 9.2376 17.1525 9.66687 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 7.79173 7.70811 6.93195 10.176 15.4542 9.98144 numMergedOcc 0
