0 mol 0 unq 0 iso 0 dist 9.72725 9.64573 6.94943 12.7627 4.22598 7.92928 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.87885 10.2446 8.15894 10.672 4.40641 9.55056 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.87885 10.2446 8.15894 6.36911 7.92429 7.45262 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.87885 12.3097 8.45544 10.672 4.40641 7.57354 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.87885 12.3097 8.45544 6.36911 7.92429 6.96586 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 6.1206 5.44992 8.15894 7.31201 4.40641 9.55056 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 6.1206 5.44992 8.15894 9.36807 7.92429 7.45262 numMergedOcc 0
7 mol 7 unq 6 iso 0 dist 6.1206 4.74523 8.45544 7.31201 4.40641 7.57354 numMergedOcc 0
8 mol 7 unq 7 iso 0 dist 6.1206 4.74523 8.45544 9.36807 7.92429 6.96586 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 5.8245 3.98483 7.05919 8.47421 3.91075 8.04924 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 6.24711 14.0576 9.58596 11.098 5.31195 9.36424 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 5.94756 6.18811 7.72462 6.99408 4.51883 7.95778 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 9.8703 8.53692 8.05514 13.3081 11.8533 8.80104 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 7.39665 15.0902 8.05514 18.8135 11.8533 8.80104 numMergedOcc 0
14 mol 74 unq 0 iso 0 dist 7.93281 4.79817 6.3567 8.96501 5.38404 4.79413 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 16.0334 9.18194 7.85041 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 9.16718 7.33596 7.44838 12.1449 4.67929 7.20953 numMergedOcc 0
17 mol 105 unq 1 iso 0 dist 7.94633 8.22667 7.44838 10.5412 4.67929 7.20953 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.02706 10.1567 4.99604 13.304 4.89178 7.82011 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 8.47988 8.56707 4.99604 11.6597 4.89178 7.82011 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 9.05166 12.6695 7.44041 17.5367 9.69404 7.82011 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.7144 5.6074 7.59156 6.73814 4.81369 8.11094 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.04595 5.61704 8.4965 11.695 13.2709 9.9928 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 9.98797 4.28797 8.24966 7.66168 4.02212 6.82089 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 9.98797 4.28797 8.24966 9.12581 5.46642 5.38314 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 5.37047 9.23795 8.612 9.27292 4.38322 7.88655 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 8.33439 6.55507 9.82982 13.3616 12.9875 7.53158 numMergedOcc 0
27 mol 154 unq 1 iso 0 dist 8.33439 6.55507 9.82982 11.2797 11.8727 7.43407 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 7.06025 10.1489 8.25282 10.5498 5.88866 5.98771 numMergedOcc 0
29 mol 188 unq 0 iso 0 dist 7.88013 5.48276 7.79115 6.90541 6.39872 7.48284 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.52816 5.54129 7.53395 9.19704 13.4094 9.83885 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 8.1945 16.6392 9.87668 17.6316 13.317 7.29542 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 6.50998 4.76151 9.87668 10.7328 13.317 7.29542 numMergedOcc 0
33 mol 225 unq 2 iso 0 dist 9.09424 4.76151 8.42121 10.7328 10.43 7.29542 numMergedOcc 0
34 mol 225 unq 3 iso 0 dist 8.14831 4.76151 4.98402 10.7328 10.7885 7.29542 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 5.23634 10.5813 9.43618 8.17891 4.09934 7.1372 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 6.91318 7.22396 9.43618 6.95902 4.09934 7.1372 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 8.19317 11.5211 9.11454 6.98084 4.47008 9.31673 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 5.1823 6.65703 9.11454 7.32211 4.47008 9.31673 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.12776 11.0349 6.53286 7.67322 9.75095 7.61203 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.12776 11.0349 6.53286 12.3367 11.7938 9.47845 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 9.12776 11.0349 6.53286 13.5581 11.7709 6.92409 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 9.12776 11.0349 6.53286 7.19008 6.12722 6.89694 numMergedOcc 0
43 mol 238 unq 4 iso 0 dist 9.72188 10.7551 6.53286 12.1104 9.75095 7.61203 numMergedOcc 0
44 mol 238 unq 5 iso 0 dist 9.72188 10.7551 6.53286 9.29858 11.7938 9.47845 numMergedOcc 0
45 mol 238 unq 6 iso 0 dist 9.72188 10.7551 6.53286 10.7386 11.7709 6.92409 numMergedOcc 0
46 mol 238 unq 7 iso 0 dist 9.72188 10.7551 6.53286 15.0465 6.12722 6.89694 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 7.15764 13.9054 9.39658 14.7097 9.43777 6.57207 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 12.3016 9.04569 9.42738 numMergedOcc 0
49 mol 264 unq 1 iso 0 dist 5.90058 9.09085 7.14086 12.2802 9.04569 9.42738 numMergedOcc 0
50 mol 264 unq 2 iso 0 dist 9.58916 10.1591 7.14086 14.5867 9.04569 9.42738 numMergedOcc 0
51 mol 273 unq 0 iso 0 dist 6.31969 5.9476 5.4307 10.3657 4.42663 6.94131 numMergedOcc 0
