0 mol 4 unq 0 iso 0 dist 9.63758 10.7798 5.39008 9.34175 9.12428 12.7044 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.84944 11.3412 7.67459 7.95485 9.21978 6.30607 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.84944 11.3412 7.67459 14.9082 8.03754 9.69698 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.21995 5.88097 7.67459 6.80633 9.21978 6.30607 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.21995 5.88097 7.67459 4.80528 8.03754 9.69698 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.24055 12.3514 9.34552 7.38126 8.02261 11.7927 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 9.66898 7.15478 9.34552 10.7639 8.02261 11.7927 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 15.4665 8.75668 11.6779 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.52643 7.59945 5.45684 9.48441 9.64871 12.0048 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 8.52643 7.59945 5.45684 4.76091 9.95118 10.7116 numMergedOcc 0
10 mol 64 unq 3 iso 0 dist 8.52643 13.3239 7.76644 15.4665 8.75668 10.1207 numMergedOcc 0
11 mol 64 unq 4 iso 0 dist 8.52643 13.3239 7.76644 9.48441 9.64871 15.2828 numMergedOcc 0
12 mol 64 unq 5 iso 0 dist 8.52643 13.3239 7.76644 4.76091 9.95118 15.7534 numMergedOcc 0
13 mol 64 unq 6 iso 0 dist 5.41357 5.65551 5.45684 9.95527 8.75668 11.6779 numMergedOcc 0
14 mol 64 unq 7 iso 0 dist 5.41357 5.65551 5.45684 6.41829 9.64871 12.0048 numMergedOcc 0
15 mol 64 unq 8 iso 0 dist 5.41357 5.65551 5.45684 6.13923 9.95118 10.7116 numMergedOcc 0
16 mol 64 unq 9 iso 0 dist 5.41357 9.81422 7.76644 9.95527 8.75668 10.1207 numMergedOcc 0
17 mol 64 unq 10 iso 0 dist 5.41357 9.81422 7.76644 6.41829 9.64871 15.2828 numMergedOcc 0
18 mol 64 unq 11 iso 0 dist 5.41357 9.81422 7.76644 6.13923 9.95118 15.7534 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 12.3394 6.3777 10.539 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 7.45777 14.1204 7.32265 12.3394 6.3777 4.91508 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 7.48556 15.0455 8.08507 7.52996 6.4104 9.8979 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 4.76466 7.91223 7.93145 5.56574 6.96759 9.14798 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 9.61101 6.64929 7.26325 6.29782 6.42706 6.65856 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.08846 9.13134 6.45169 6.58443 8.88233 6.92535 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 9.19171 9.57821 6.45169 10.4466 8.88233 6.92535 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.8353 7.82218 5.92836 17.2988 9.47554 14.5299 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.65031 12.1354 9.27341 14.069 8.41774 9.50073 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.51844 6.67687 9.27341 4.46956 8.41774 9.50073 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 9.96635 17.5374 8.95432 16.6371 9.99005 3.8949 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 7.86075 8.07672 7.62505 5.27534 9.19061 6.95439 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 9.52029 13.8486 9.23669 18.5654 9.44947 15.0515 numMergedOcc 0
32 mol 209 unq 0 iso 0 dist 9.79293 8.95238 6.82209 5.35827 9.66809 5.3114 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 5.25149 8.17619 9.57625 6.19375 5.39218 13.0808 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 6.23677 8.8161 8.96263 6.87755 7.49783 11.9904 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 9.04741 9.46987 8.96263 12.3271 7.49783 11.9904 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 7.31608 3.92881 8.96263 11.0252 7.49783 11.9904 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 9.01071 13.3781 7.449 8.70119 6.29774 5.56089 numMergedOcc 0
38 mol 239 unq 1 iso 0 dist 9.01071 13.3781 7.449 10.1972 9.28258 7.18168 numMergedOcc 0
39 mol 239 unq 2 iso 0 dist 9.01071 14.2324 8.98789 8.70119 6.29774 8.75635 numMergedOcc 0
40 mol 239 unq 3 iso 0 dist 9.01071 14.2324 8.98789 10.1972 9.28258 5.85469 numMergedOcc 0
41 mol 239 unq 4 iso 0 dist 8.26312 13.8702 7.10828 7.05402 7.78671 12.7533 numMergedOcc 0
42 mol 239 unq 5 iso 0 dist 7.58554 8.46058 7.10828 8.27566 7.78671 12.7533 numMergedOcc 0
43 mol 243 unq 0 iso 0 dist 4.64178 7.70076 8.1195 5.94295 9.35819 5.74171 numMergedOcc 0
44 mol 243 unq 1 iso 0 dist 9.16988 16.6703 8.1195 16.7683 9.35819 5.74171 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 7.79787 8.64762 6.2667 10.5547 9.21656 8.82711 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 8.10903 5.79358 8.73425 9.78068 9.04358 5.13233 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 9.86267 8.46595 9.78704 7.02254 6.11671 5.55516 numMergedOcc 0
48 mol 271 unq 0 iso 0 dist 9.50884 7.94329 5.76281 7.30308 9.42899 5.31774 numMergedOcc 0
49 mol 280 unq 0 iso 0 dist 4.45141 5.846 6.38295 6.07005 5.41639 8.30978 numMergedOcc 0
50 mol 280 unq 1 iso 0 dist 4.45141 5.846 6.38295 7.38048 7.96485 5.80223 numMergedOcc 0
