0 mol 2 unq 0 iso 0 dist 6.47123 9.39095 10.431 4.00237 8.3726 7.2721 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 8.70824 4.9568 10.7591 3.67097 6.86923 5.69239 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 5.93404 4.9568 3.91535 3.67097 4.60775 5.69239 numMergedOcc 0
3 mol 5 unq 2 iso 0 dist 6.70655 4.9568 6.94674 3.67097 8.64744 5.69239 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 8.04676 9.87102 17.2737 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 14.2223 9.87102 17.2737 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 9.68005 9.50939 7.66068 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 5.31562 5.13041 7.50925 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 5.48555 8.94777 4.48523 8.56578 5.13041 7.50925 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.29249 7.33353 4.51052 6.21004 9.62106 8.55237 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.29249 8.55622 5.10352 6.21004 9.62106 11.27 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.74082 8.60172 3.95522 9.91283 9.70231 12.0557 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.3565 7.39028 5.38685 3.98588 9.87557 9.29327 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.4707 8.98028 11.1269 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.19166 8.83476 4.63862 6.42838 8.98028 11.1269 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 3.72502 7.84707 12.2954 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 5.60956 6.48066 3.60864 3.56227 5.64732 5.86767 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 5.60956 6.48066 3.60864 3.96437 5.52214 5.28353 numMergedOcc 0
18 mol 168 unq 2 iso 0 dist 5.60956 6.48066 3.60864 6.15982 5.80055 8.89343 numMergedOcc 0
19 mol 168 unq 3 iso 0 dist 5.60956 6.48066 3.60864 5.33789 7.44481 9.52186 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 6.09291 7.50458 10.1931 4.24401 6.27378 5.10589 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 6.09291 5.79554 10.5136 4.24401 6.27378 4.63336 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 6.09291 4.22003 10.212 4.24401 6.27378 6.10715 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 8.85182 9.1549 4.49455 5.80135 9.44685 12.1031 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.78743 5.05414 10.6325 16.7863 7.97601 16.8666 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 9.78743 7.16964 7.64178 16.7863 7.97601 14.3575 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.05912 8.93485 9.27501 9.4797 9.21286 16.1183 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 6.60429 5.66636 9.27501 13.314 9.21286 16.1183 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 5.19913 6.99256 3.86973 6.2863 9.62914 9.47092 numMergedOcc 0
29 mol 230 unq 1 iso 0 dist 5.19913 6.99256 3.86973 12.1033 9.73038 11.6163 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 9.84479 8.00949 4.77491 6.5573 9.36462 10.3456 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 9.84479 8.19257 14.476 6.5573 9.36462 12.9719 numMergedOcc 0
32 mol 232 unq 2 iso 0 dist 9.82645 8.00949 17.8132 5.28999 5.86945 13.0017 numMergedOcc 0
33 mol 232 unq 3 iso 0 dist 9.82645 8.19257 9.96532 5.28999 5.86945 10.1706 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 9.44671 9.69772 7.82473 10.6613 9.8976 16.3005 numMergedOcc 0
35 mol 233 unq 1 iso 0 dist 9.44671 9.69772 7.82473 4.45501 7.97911 11.3473 numMergedOcc 0
36 mol 233 unq 2 iso 0 dist 7.21531 9.69772 4.60977 7.70097 8.70416 12.059 numMergedOcc 0
37 mol 233 unq 3 iso 0 dist 7.21531 9.69772 4.60977 10.2345 8.18379 12.0817 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 14.366 6.04835 18.5517 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 9.80006 7.93375 3.94797 3.87565 9.03341 6.96692 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 6.16854 9.22665 6.10543 3.65986 8.7752 11.0216 numMergedOcc 0
