0 mol 11 unq 0 iso 0 dist 6.58046 10.7048 6.83186 6.35398 6.51674 9.81983 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.45756 9.26597 3.77542 13.0114 3.57198 5.53419 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 6.88863 8.22812 11.8552 11.6319 7.11491 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.89047 6.88863 4.22002 11.8552 5.39812 7.11491 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.89003 6.88863 5.77855 11.8552 8.55482 7.11491 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.25027 3.83059 4.15789 11.1154 6.07693 8.84225 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.25027 3.83059 4.15789 8.77598 5.25584 6.72546 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 4.37025 8.95695 6.20144 8.77598 5.79629 7.38548 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 4.37025 3.83059 4.808 11.1154 10.8556 8.84225 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 4.37025 3.83059 4.808 8.77598 5.79629 6.72546 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.69926 6.35602 6.67137 11.5566 5.22259 8.04853 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.85237 6.35602 7.04244 11.5566 7.66499 8.04853 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.11768 10.5854 7.04244 10.8523 7.66499 8.04853 numMergedOcc 0
13 mol 107 unq 0 iso 0 dist 9.45682 11.8593 8.19484 16.009 8.49625 7.89505 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.11702 4.56372 9.29327 7.02927 11.1265 5.54226 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 9.06601 6.34994 4.91212 15.6609 8.83426 9.72371 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 5.98809 6.34994 9.34782 15.6609 16.815 9.72371 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.59585 5.37655 7.02358 11.9334 14.7833 9.62952 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 7.02367 13.0914 7.02358 9.66219 3.52111 5.35711 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 7.78789 4.46691 9.02015 11.0563 13.6461 9.82836 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 7.78789 4.46691 9.02015 7.70232 6.05048 6.5788 numMergedOcc 0
21 mol 117 unq 2 iso 0 dist 7.78789 4.46691 9.02015 7.4671 4.42665 6.2771 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 9.3273 6.80544 5.60448 9.87644 5.16197 9.62774 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.99891 6.75249 4.3855 9.14266 4.5497 7.2932 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 9.52922 12.8006 5.10542 8.65535 3.7326 8.43182 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 9.38984 11.6641 4.68722 16.3832 7.29209 8.43182 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 9.91118 10.0534 4.68722 16.8644 7.29209 8.43182 numMergedOcc 0
27 mol 198 unq 0 iso 0 dist 8.08471 4.27652 7.38825 6.34616 5.92533 8.78623 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 4.51255 4.46135 6.80296 6.16414 9.36584 7.9416 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 6.23183 3.56132 6.80296 7.75885 9.36584 7.9416 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 8.82761 4.67313 9.71831 7.73322 6.78109 8.59946 numMergedOcc 0
31 mol 213 unq 1 iso 0 dist 9.09354 3.62097 7.93317 11.8877 11.5458 9.34602 numMergedOcc 0
32 mol 213 unq 2 iso 0 dist 4.66576 7.49785 9.71831 8.14332 6.78109 8.59946 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 5.77511 10.0874 8.66299 10.6345 5.68255 9.73723 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 9.27311 5.10494 8.66299 12.7624 5.68255 9.73723 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 5.30118 3.65199 4.68668 9.65934 5.39801 9.25759 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 8.98698 5.70614 4.68668 14.0537 5.39801 9.25759 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 5.30118 3.65199 4.68668 9.65934 5.39801 9.25759 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 8.98698 5.70614 4.68668 14.0537 5.39801 9.25759 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 5.30118 3.65199 4.68668 9.65934 5.39801 9.25759 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.98698 5.70614 4.68668 14.0537 5.39801 9.25759 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 4.49592 7.22011 8.07775 7.07965 5.06937 5.91617 numMergedOcc 0
