0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 7.12261 12.536 9.01112 8.64248 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.04767 9.58196 4.53725 10.6873 9.58855 10.3349 5.76302 9.6726 8.84686 6.79087 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 6.28159 10.4135 8.87744 7.55689 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 5.50396 9.33482 7.27472 5.11135 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 4.82629 11.0181 6.6219 8.32592 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 10.1698 17.003 5.68215 8.10397 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.06158 9.93832 8.60739 5.41726 6.6263 6.75943 4.55347 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.06158 8.60739 9.93832 5.41726 6.75943 6.6263 4.55347 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 5.73693 6.06454 9.44459 6.42339 11.5679 9.33906 10.7651 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 7.80499 7.48086 7.57295 5.71764 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 8.62476 12.8147 7.57295 5.71764 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 8.62476 12.8147 8.4312 5.71764 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 8.62476 8.4312 7.57295 5.71764 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.26458 7.04044 8.73253 6.20232 12.2276 8.68662 10.9746 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.26458 7.04044 8.73253 5.70116 9.73086 7.4369 7.8972 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 11.2069 13.3207 5.5087 8.45029 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 10.6713 14.498 6.08682 7.88444 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.19304 9.96396 5.4148 8.26458 8.73253 7.04044 5.70116 7.4369 9.73086 7.8972 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 11.2069 13.8368 5.5087 8.45029 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 10.6713 14.5999 6.08682 7.88444 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 5.70116 12.8207 9.73086 16.4689 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 8.70481 9.96396 14.9342 8.05119 7.11 12.4407 5.70116 12.8207 9.73086 8.54164 numMergedOcc 0
22 mol 73 unq 9 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 6.20232 13.8931 8.68662 18.7493 numMergedOcc 0
23 mol 73 unq 10 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 5.70116 12.8207 7.4369 16.4689 numMergedOcc 0
24 mol 73 unq 11 iso 0 dist 8.70481 6.19304 13.3558 8.05119 7.11 12.0613 6.20232 13.8931 8.68662 10.6503 numMergedOcc 0
25 mol 73 unq 12 iso 0 dist 8.70481 6.19304 13.3558 8.05119 7.11 12.0613 5.70116 12.8207 7.4369 8.54164 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 14.9392 9.00544 17.8663 6.23008 9.76432 8.91882 16.6083 numMergedOcc 0
27 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 12.6602 7.12017 12.6061 6.23008 9.76432 8.91882 11.1445 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.58044 7.34473 7 5.54205 8.89913 10.3189 6.73011 11.0751 6.29161 8.60746 numMergedOcc 0
29 mol 109 unq 1 iso 0 dist 8.58044 7.34473 7 5.54205 8.89913 10.3189 13.0886 14.3511 7.86666 15.5273 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.83991 9.33865 7.69052 6.4497 5.72642 10.9734 6.63111 9.42082 6.39384 10.5109 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 6.11741 9.33865 8.02349 6.08806 5.74857 10.9766 6.95773 10.0255 6.24825 10.6688 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 7.21418 5.74857 10.0289 5.03039 11.8378 6.04595 8.80697 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 7.88312 5.83991 8.02349 7.21418 5.74857 10.9766 6.01673 10.0255 6.24825 10.6688 numMergedOcc 0
34 mol 115 unq 4 iso 0 dist 7.88312 6.11741 7.69052 7.3094 5.72642 10.9734 6.07067 9.42082 6.39384 10.5109 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 5.89022 8.71039 8.86329 3.98662 10.0551 9.27976 5.30999 numMergedOcc 0
36 mol 131 unq 1 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 3.98662 10.0551 9.27976 12.0894 numMergedOcc 0
37 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 3.98662 10.7579 9.27976 12.0894 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 6.95573 13.9752 9.33924 14.6016 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 8.06642 7.21868 7.93372 4.935 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 8.46636 5.53031 13.9396 8.06642 11.988 7.21868 15.9889 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 8.46636 5.53031 10.1537 6.95573 9.55584 9.33924 9.91833 numMergedOcc 0
42 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 8.46636 5.53031 10.1537 8.06642 11.988 7.93372 15.9889 numMergedOcc 0
43 mol 134 unq 5 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 10.2026 13.9752 9.33924 14.6016 numMergedOcc 0
44 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 4.00092 7.21868 7.93372 4.935 numMergedOcc 0
45 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 12.6057 9.17106 12.432 4.67662 7.81207 6.14151 9.38687 numMergedOcc 0
46 mol 142 unq 1 iso 0 dist 7.73169 7.26382 5.32922 8.38032 9.17106 12.432 5.81599 7.81207 6.14151 9.38687 numMergedOcc 0
47 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 9.35627 9.77552 8.28642 5.39112 6.59889 6.70693 4.71678 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 9.35627 8.28642 9.77552 5.39112 6.70693 6.59889 4.71678 numMergedOcc 0
49 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 9.35627 8.28642 9.77552 4.84714 9.27706 8.9192 7.11377 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 8.90184 6.85302 7.20574 11.0961 11.456 6.61112 8.58039 numMergedOcc 0
51 mol 186 unq 1 iso 0 dist 8.87694 7.54065 5.74635 12.8303 9.98215 13.6209 11.0961 11.456 6.61112 16.1956 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 11.0628 8.38865 5.4694 5.0317 5.23634 6.91318 7.3164 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 8.65997 7.22101 5.22356 11.0628 5.4694 8.38865 5.0317 6.91318 5.23634 7.3164 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 7.55216 7.22101 12.4689 10.6244 5.87815 16.0894 5.0317 12.3663 5.23634 15.5062 numMergedOcc 0
55 mol 227 unq 3 iso 0 dist 7.55216 8.65997 12.9332 10.6244 5.87815 17.8603 5.0317 12.3663 6.91318 15.5062 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 5.63086 8.24186 7.5366 12.4252 11.6391 7.81215 11.0592 numMergedOcc 0
57 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 5.6819 8.24186 7.5366 5.75498 11.6391 7.81215 11.0592 numMergedOcc 0
58 mol 248 unq 0 iso 0 dist 7.21521 7.69895 5.55137 5.99459 9.77666 6.17052 4.58289 9.33962 9.05018 7.14182 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 5.60748 8.55558 10.5803 11.6988 6.95511 9.46361 9.55426 numMergedOcc 0
