0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 4.94497 8.77457 11.4997 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 8.50424 8.076 12.1193 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 12.9999 7.98679 13.8843 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 4.32034 9.69752 10.8435 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.60423 7.95042 4.47891 8.52463 9.36461 5.80953 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 4.93188 6.6219 8.32592 5.11617 4.90592 11.3231 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 4.93188 6.6219 8.32592 10.8238 8.16324 13.0711 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 4.93188 5.68215 8.10397 5.11617 4.90592 6.61696 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 4.93188 5.68215 8.10397 10.8238 8.16324 15.3807 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 9.24958 8.87744 7.55689 13.2229 4.90592 12.3034 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 9.24958 8.87744 7.55689 6.7828 8.16324 12.6707 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 9.24958 7.27472 5.11135 13.2229 4.90592 9.84204 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 9.24958 7.27472 5.11135 6.7828 8.16324 9.586 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 6.77886 9.03564 10.5332 10.0962 6.99108 13.9879 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.94827 4.65127 6.63448 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 8.82176 9.95132 12.9345 5.32257 4.65127 11.2466 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 8.82176 7.48086 5.71764 5.32257 4.65127 6.63448 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.11416 6.48232 6.14542 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 6.56633 6.48232 8.96616 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 6.56633 6.48232 6.14542 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 4.3931 6.66954 13.8179 numMergedOcc 0
21 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 6.45686 9.75201 7.46095 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 13.534 8.57827 15.5762 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 8.65802 9.33861 10.2518 5.83515 7.94453 13.9486 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.12017 7.82475 13.4027 9.75737 9.5669 17.2742 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 7.12017 5.35782 12.068 9.75737 9.5669 14.2997 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 7.20706 6.76575 13.7062 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 5.35728 6.76575 14.0071 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 8.03372 5.58833 7.06894 4.55551 9.94578 9.8591 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 8.86329 9.27976 5.30999 10.3369 8.92828 13.4975 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 8.86329 9.27976 5.30999 7.7567 5.56627 10.0568 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 10.1386 4.46777 5.92302 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 6.69515 8.07097 5.25982 7.42649 6.94988 5.29898 numMergedOcc 0
35 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 5.27847 6.51014 13.2829 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 7.35824 9.63417 5.68406 11.8693 5.89564 10.8314 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 7.35824 9.63417 5.68406 6.77832 5.60528 10.5288 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 9.17364 9.63417 9.31641 6.77832 5.5995 10.5288 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 7.30024 7.46987 9.45907 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 10.5063 4.5271 6.88127 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 9.83476 7.2793 6.38897 14.4429 7.02575 12.6585 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 9.83476 9.51091 8.93258 10.5063 4.5271 9.90692 numMergedOcc 0
43 mol 186 unq 4 iso 0 dist 9.83476 9.51091 8.93258 14.4429 7.02575 15.5879 numMergedOcc 0
44 mol 186 unq 5 iso 0 dist 9.83476 7.85184 11.924 10.5063 4.5271 14.7428 numMergedOcc 0
45 mol 186 unq 6 iso 0 dist 9.83476 7.85184 11.924 14.4429 7.02575 15.7057 numMergedOcc 0
46 mol 204 unq 0 iso 0 dist 6.85441 7.9133 9.54203 5.86489 5.91727 9.48625 numMergedOcc 0
47 mol 210 unq 0 iso 0 dist 7.63018 8.63693 6.75621 5.85636 5.57779 10.4725 numMergedOcc 0
48 mol 210 unq 1 iso 0 dist 7.63018 8.63693 6.75621 10.0337 7.05649 12.9836 numMergedOcc 0
49 mol 210 unq 2 iso 0 dist 7.63018 8.63693 6.75621 7.67559 6.78579 9.68477 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.92618 8.3087 13.0402 numMergedOcc 0
51 mol 218 unq 1 iso 0 dist 8.86175 8.75536 13.4147 4.92618 9.32945 13.0402 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 5.76954 7.33709 6.57708 7.84019 8.3087 13.0402 numMergedOcc 0
53 mol 218 unq 3 iso 0 dist 6.29511 7.33709 13.4147 7.84019 9.32945 13.0402 numMergedOcc 0
54 mol 218 unq 4 iso 0 dist 9.20961 6.67404 6.57708 10.9043 8.3087 13.0402 numMergedOcc 0
55 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 7.17211 8.20162 11.432 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 7.17211 8.20162 13.1625 numMergedOcc 0
57 mol 225 unq 2 iso 0 dist 6.6561 8.14831 11.2847 7.17211 8.20162 10.351 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 7.83711 6.71524 8.03712 4.9377 6.57921 9.9183 numMergedOcc 0
59 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 6.35641 7.39391 8.09509 numMergedOcc 0
60 mol 257 unq 0 iso 0 dist 9.69696 7.81897 5.96144 6.74593 9.43042 10.3681 numMergedOcc 0
61 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 6.26382 7.21655 11.9497 numMergedOcc 0
62 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 5.24812 7.21655 11.9497 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.28695 7.85414 9.26157 numMergedOcc 0
