0 mol 30 unq 0 iso 0 dist 5.5814 8.51496 8.32637 5.80534 6.61952 8.7139 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.59244 7.69638 11.1914 4.90216 11.6713 3.68327 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.59244 7.69638 11.1914 9.84217 3.88148 9.13939 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.1599 8.67162 10.0059 6.35779 5.9487 4.32751 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.1599 8.79114 10.4611 6.35779 5.9487 4.83294 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 5.47319 8.91502 5.83934 5.75135 8.67853 10.4849 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.8809 8.91502 14.3583 5.75135 10.8149 10.4849 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.4545 5.62309 8.70803 7.29864 11.3522 3.79182 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.4545 5.62309 8.70803 7.7399 12.2908 8.93569 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 8.4545 7.11438 9.52327 7.29864 11.3522 9.74373 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 8.4545 7.11438 9.52327 7.7399 12.2908 3.98877 numMergedOcc 0
11 mol 92 unq 4 iso 0 dist 7.01176 5.62309 8.87994 7.29864 10.0591 3.79182 numMergedOcc 0
12 mol 92 unq 5 iso 0 dist 7.01176 5.62309 8.87994 7.7399 13.6054 8.93569 numMergedOcc 0
13 mol 92 unq 6 iso 0 dist 7.01176 7.11438 11.641 7.29864 10.0591 9.74373 numMergedOcc 0
14 mol 92 unq 7 iso 0 dist 7.01176 7.11438 11.641 7.7399 13.6054 3.98877 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 9.68556 13.6536 3.61204 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 5.17585 8.23777 5.76098 9.60648 5.53441 10.2723 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 7.04864 8.73484 8.2619 8.03124 3.35803 8.87094 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.50322 6.72323 12.538 8.52036 10.3893 12.7291 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.82404 6.72323 4.54648 8.52036 11.323 12.7291 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 6.23399 5.60184 7.51976 6.12278 10.3287 4.03185 numMergedOcc 0
21 mol 154 unq 1 iso 0 dist 6.23399 8.86862 5.02794 6.12278 10.3287 11.2909 numMergedOcc 0
22 mol 154 unq 2 iso 0 dist 6.23399 7.08477 7.23684 6.12278 10.3287 9.94519 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 9.46833 7.91434 4.62636 7.50458 13.9883 14.0793 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 9.46833 7.91434 4.62636 5.79554 14.8937 13.629 numMergedOcc 0
25 mol 169 unq 2 iso 0 dist 9.46833 7.91434 4.62636 4.22003 13.4235 11.1464 numMergedOcc 0
26 mol 169 unq 3 iso 0 dist 9.46833 7.79437 5.81985 7.50458 13.9883 14.1141 numMergedOcc 0
27 mol 169 unq 4 iso 0 dist 9.46833 7.79437 5.81985 5.79554 14.8937 13.1539 numMergedOcc 0
28 mol 169 unq 5 iso 0 dist 9.46833 7.79437 5.81985 4.22003 13.4235 11.6489 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 6.07091 6.80086 7.35753 7.06555 10.0225 3.72812 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 8.93485 5.42503 9.43113 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 8.10287 8.86587 14.0496 5.66636 4.69695 9.43113 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 5.4913 8.86587 5.8535 5.66636 5.42503 9.43113 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 8.62103 9.26092 10.4168 9.49242 9.97638 3.71145 numMergedOcc 0
34 mol 210 unq 1 iso 0 dist 8.62103 9.26092 10.4168 9.25184 4.29623 11.0674 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.90656 8.89157 3.98604 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 4.90656 8.89157 7.99695 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 7.70279 9.41148 6.2188 9.67243 4.14873 9.85068 numMergedOcc 0
38 mol 232 unq 1 iso 0 dist 7.70279 7.83422 12.3508 9.67243 4.14873 12.3471 numMergedOcc 0
39 mol 232 unq 2 iso 0 dist 9.29752 9.41148 12.5452 9.67243 5.61663 9.85068 numMergedOcc 0
40 mol 232 unq 3 iso 0 dist 9.29752 7.83422 8.80479 9.67243 5.61663 12.3471 numMergedOcc 0
41 mol 244 unq 0 iso 0 dist 7.65388 5.79898 5.17744 5.16859 9.54706 10.1665 numMergedOcc 0
42 mol 244 unq 1 iso 0 dist 7.65388 5.79898 5.17744 4.79207 4.06591 5.68434 numMergedOcc 0
43 mol 257 unq 0 iso 0 dist 9.83721 8.4302 5.754 9.82105 7.41143 3.96862 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 9.82713 4.60007 8.87313 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 6.55855 6.83113 5.64601 9.82713 4.60007 6.97575 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 6.55855 9.44134 6.52035 9.82713 4.60007 9.92055 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 9.52894 9.11072 6.40141 9.82713 10.9558 8.87313 numMergedOcc 0
48 mol 274 unq 4 iso 0 dist 9.52894 6.83113 10.5941 9.82713 10.9558 6.97575 numMergedOcc 0
49 mol 274 unq 5 iso 0 dist 9.52894 9.44134 5.71192 9.82713 10.9558 9.92055 numMergedOcc 0
