0 mol 7 unq 0 iso 0 dist 6.10226 9.49401 6.46501 14.8431 13.148 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.10226 9.49401 6.46501 18.245 13.8716 9.68596 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.80034 9.49401 5.25379 14.8431 9.85726 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.80034 9.49401 5.25379 18.245 12.9476 9.68596 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.83056 9.49401 9.14866 14.8431 10.8678 6.7985 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 9.83056 9.49401 9.14866 18.245 13.2513 9.68596 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 6.27964 6.29106 5.15125 4.37231 6.79478 4.30695 numMergedOcc 0
7 mol 11 unq 1 iso 0 dist 6.27964 7.05626 10.9655 4.37231 6.79478 6.35398 numMergedOcc 0
8 mol 11 unq 2 iso 0 dist 5.8689 6.49542 5.15125 4.80143 6.79478 4.30695 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.67926 8.12171 11.3676 10.5449 16.4411 9.41441 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.67926 8.12171 11.3676 14.617 17.1686 6.73939 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.89262 8.80308 10.5356 9.89708 15.9015 9.92355 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.89262 8.80308 10.5356 7.71984 12.9181 5.93884 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 6.89262 8.80308 10.5356 4.67517 10.671 7.68678 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 7.93406 8.80308 6.64072 9.89708 12.9335 9.92355 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 7.93406 8.80308 6.64072 7.71984 7.84983 5.93884 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 7.93406 8.80308 6.64072 4.67517 9.56737 7.68678 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 9.77304 5.45873 11.5684 9.57561 19.1264 9.30539 numMergedOcc 0
18 mol 91 unq 1 iso 0 dist 9.77304 6.97995 15.1247 9.57561 19.1264 9.01176 numMergedOcc 0
19 mol 91 unq 2 iso 0 dist 9.18431 5.98441 11.3454 5.55005 10.1937 9.30539 numMergedOcc 0
20 mol 91 unq 3 iso 0 dist 9.18431 5.61819 5.20596 5.55005 10.1937 9.01176 numMergedOcc 0
21 mol 108 unq 0 iso 0 dist 6.29966 8.50992 4.70778 10.051 7.29462 9.01852 numMergedOcc 0
22 mol 108 unq 1 iso 0 dist 9.31725 8.00008 4.70778 15.8859 7.29462 9.01852 numMergedOcc 0
23 mol 108 unq 2 iso 0 dist 9.57358 7.79698 4.70778 14.7085 7.29462 9.01852 numMergedOcc 0
24 mol 108 unq 3 iso 0 dist 5.38329 7.18748 4.70778 4.56297 7.29462 9.01852 numMergedOcc 0
25 mol 108 unq 4 iso 0 dist 7.62421 7.18748 6.76634 4.56297 5.4057 9.01852 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 9.58388 8.9967 6.63662 10.0484 15.4421 9.90168 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 6.77889 8.9967 6.14427 10.0484 11.439 9.90168 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.74611 6.29351 4.78734 4.30841 12.4191 8.73722 numMergedOcc 0
29 mol 223 unq 0 iso 0 dist 6.33896 8.73987 9.31513 11.1577 14.8165 7.48463 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 9.5831 9.33455 16.0222 12.2372 15.5559 7.32499 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 6.02845 7.87572 5.87054 5.6375 9.31246 7.1686 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 9.35599 7.87572 8.11867 5.6375 11.0439 7.1686 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 6.86905 6.62283 11.9863 10.2134 11.1188 7.57812 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 6.86905 6.62283 11.9863 5.88384 5.56719 9.24557 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 6.86905 8.60978 13.0383 10.2134 11.1188 8.69104 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 7.02416 8.91606 14.4299 15.2651 21.0857 8.00673 numMergedOcc 0
37 mol 278 unq 1 iso 0 dist 7.02416 8.91606 14.4299 9.04802 15.9165 6.62841 numMergedOcc 0
