0 mol 5 unq 0 iso 0 dist 9.38842 7.15734 6.343 6.77563 8.08754 5.32128 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.95422 9.00925 15.0835 8.89145 12.7683 5.7343 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.95422 9.00925 15.0835 6.92865 12.3778 11.3728 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 7.65219 9.00925 15.5539 8.89145 13.0138 5.7343 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 7.65219 9.00925 15.5539 6.92865 5.95251 11.3728 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 9.99955 5.9021 14.5243 8.17618 10.8817 7.58748 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 9.99955 8.98466 5.3482 8.17618 10.8817 6.89226 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 7.78708 5.3957 9.38012 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.8824 9.3147 5.83115 7.84393 10.38 10.5285 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 6.8824 9.79426 13.3381 7.78708 5.3957 9.55318 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.8824 9.79426 13.3381 7.84393 10.38 9.84922 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 8.33492 9.3147 15.1867 7.78708 10.6828 9.38012 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 8.33492 9.3147 15.1867 7.84393 6.01189 10.5285 numMergedOcc 0
13 mol 19 unq 6 iso 0 dist 8.33492 9.79426 6.1852 7.78708 10.6828 9.55318 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 8.33492 9.79426 6.1852 7.84393 6.01189 9.84922 numMergedOcc 0
15 mol 33 unq 0 iso 0 dist 7.99091 8.43688 10.264 5.66319 5.62472 9.42379 numMergedOcc 0
16 mol 33 unq 1 iso 0 dist 9.82882 8.43688 6.40736 5.66319 6.77726 9.42379 numMergedOcc 0
17 mol 41 unq 0 iso 0 dist 6.42931 8.28673 10.2887 4.68793 8.85978 10.9806 numMergedOcc 0
18 mol 48 unq 0 iso 0 dist 9.65989 8.36915 5.70853 5.36645 10.2391 8.03277 numMergedOcc 0
19 mol 48 unq 1 iso 0 dist 9.65989 6.01454 11.7008 5.36645 10.2391 9.26483 numMergedOcc 0
20 mol 48 unq 2 iso 0 dist 8.66272 8.36915 4.8908 5.36645 10.8186 8.03277 numMergedOcc 0
21 mol 48 unq 3 iso 0 dist 8.66272 6.01454 5.82846 5.36645 10.8186 9.26483 numMergedOcc 0
22 mol 66 unq 0 iso 0 dist 9.03383 6.85819 5.49864 8.31793 10.8925 5.57361 numMergedOcc 0
23 mol 68 unq 0 iso 0 dist 6.85894 7.19203 5.22165 7.14865 7.02846 9.51008 numMergedOcc 0
24 mol 68 unq 1 iso 0 dist 9.85982 8.76389 4.83162 5.57389 5.31976 4.62335 numMergedOcc 0
25 mol 69 unq 0 iso 0 dist 7.32268 8.36667 8.99315 8.24121 8.0675 14.9981 numMergedOcc 0
26 mol 69 unq 1 iso 0 dist 7.32268 8.36667 8.99315 8.52371 12.8766 13.689 numMergedOcc 0
27 mol 69 unq 2 iso 0 dist 7.32268 8.36667 8.99315 6.8198 7.98306 5.23597 numMergedOcc 0
28 mol 103 unq 0 iso 0 dist 5.24823 7.57822 8.47667 7.55805 5.54757 6.35372 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.64438 8.24549 10.9345 6.85677 5.81718 5.19198 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 8.54607 9.6582 7.72261 5.97805 7.50335 12.6081 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 8.54607 5.17734 4.27464 5.97805 7.50335 5.26273 numMergedOcc 0
32 mol 140 unq 0 iso 0 dist 9.35707 9.92335 15.1132 9.41832 12.5321 8.78908 numMergedOcc 0
33 mol 140 unq 1 iso 0 dist 9.35707 9.92335 15.1132 5.44596 11.9489 4.83408 numMergedOcc 0
34 mol 140 unq 2 iso 0 dist 9.35707 9.92335 15.1132 9.69069 4.95731 12.2686 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 7.78154 6.68364 4.62682 5.30872 7.64386 5.4432 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 5.9183 6.68364 9.74045 5.30872 5.11989 5.4432 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.30469 8.6609 16.4886 6.73365 12.0877 6.15969 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 9.30469 8.6609 16.4886 9.45659 9.79219 11.0866 numMergedOcc 0
39 mol 175 unq 2 iso 0 dist 9.30469 8.6609 16.4886 9.44856 5.94412 13.5907 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 9.30469 6.21546 10.7476 6.73365 12.0877 5.50014 numMergedOcc 0
41 mol 175 unq 4 iso 0 dist 9.30469 6.21546 10.7476 9.45659 9.79219 7.39186 numMergedOcc 0
42 mol 175 unq 5 iso 0 dist 9.30469 6.21546 10.7476 9.44856 5.94412 7.05768 numMergedOcc 0
43 mol 175 unq 6 iso 0 dist 9.30469 6.03184 4.81365 6.73365 12.0877 7.28617 numMergedOcc 0
44 mol 175 unq 7 iso 0 dist 9.30469 6.03184 4.81365 9.45659 9.79219 5.77256 numMergedOcc 0
45 mol 175 unq 8 iso 0 dist 9.30469 6.03184 4.81365 9.44856 5.94412 4.96871 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 5.65146 7.02662 9.21526 6.99623 5.47219 6.3719 numMergedOcc 0
47 mol 186 unq 1 iso 0 dist 7.87204 9.94142 8.42816 8.93307 8.3331 11.5966 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 4.47148 9.08767 5.36423 9.08672 7.6995 5.17355 numMergedOcc 0
49 mol 206 unq 0 iso 0 dist 8.21649 4.51269 7.54538 9.19263 8.21044 5.12592 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 9.19263 8.21044 7.40413 numMergedOcc 0
51 mol 206 unq 2 iso 0 dist 5.03283 8.93927 5.77133 5.79186 6.28781 11.2111 numMergedOcc 0
52 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 8.07523 6.36047 5.82028 numMergedOcc 0
53 mol 210 unq 1 iso 0 dist 7.52542 8.60412 6.20582 8.07523 6.36047 4.62641 numMergedOcc 0
54 mol 210 unq 2 iso 0 dist 9.58979 9.00343 6.24537 7.56882 6.36047 5.82028 numMergedOcc 0
55 mol 210 unq 3 iso 0 dist 9.58979 7.05535 6.20582 7.56882 6.36047 4.62641 numMergedOcc 0
56 mol 217 unq 0 iso 0 dist 9.94746 6.01666 6.28311 9.90668 6.92624 5.42652 numMergedOcc 0
57 mol 219 unq 0 iso 0 dist 9.48678 4.67452 4.86182 8.09769 13.0834 10.0509 numMergedOcc 0
58 mol 219 unq 1 iso 0 dist 9.48678 4.67452 4.86182 7.24832 6.90908 5.48556 numMergedOcc 0
59 mol 220 unq 0 iso 0 dist 6.45234 7.35148 9.97963 7.30244 8.70715 10.48 numMergedOcc 0
60 mol 220 unq 1 iso 0 dist 6.45234 7.35148 9.97963 7.29796 10.898 5.23846 numMergedOcc 0
61 mol 220 unq 2 iso 0 dist 8.37469 7.86207 15.7127 8.9077 16.7786 4.90657 numMergedOcc 0
62 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 9.94212 10.6103 18.385 numMergedOcc 0
63 mol 223 unq 1 iso 0 dist 9.03969 9.29204 12.1037 7.34316 4.21803 8.16187 numMergedOcc 0
64 mol 223 unq 2 iso 0 dist 9.03969 9.14789 14.841 9.94212 10.6103 19.0281 numMergedOcc 0
65 mol 223 unq 3 iso 0 dist 9.03969 9.14789 14.841 7.34316 4.21803 11.2364 numMergedOcc 0
66 mol 223 unq 4 iso 0 dist 9.03969 7.80764 11.4317 9.94212 10.6103 4.67731 numMergedOcc 0
67 mol 223 unq 5 iso 0 dist 9.03969 7.80764 11.4317 7.34316 4.21803 11.4951 numMergedOcc 0
68 mol 223 unq 6 iso 0 dist 9.03969 5.75896 4.44076 9.94212 10.6103 7.19485 numMergedOcc 0
69 mol 223 unq 7 iso 0 dist 9.03969 5.75896 4.44076 7.34316 4.21803 5.18719 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 9.31156 7.62593 12.0777 4.79841 6.87755 5.41021 numMergedOcc 0
71 mol 229 unq 0 iso 0 dist 5.22312 8.36396 9.09385 8.0007 6.44004 11.2438 numMergedOcc 0
72 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 8.56954 5.56464 5.53578 numMergedOcc 0
73 mol 230 unq 1 iso 0 dist 9.26431 6.23346 4.32804 9.23938 10.1392 7.7551 numMergedOcc 0
74 mol 235 unq 0 iso 0 dist 8.67216 7.38609 6.34332 7.93727 6.25282 6.25956 numMergedOcc 0
75 mol 276 unq 0 iso 0 dist 9.15041 9.68846 12.7102 8.95876 5.88008 13.702 numMergedOcc 0
76 mol 276 unq 1 iso 0 dist 9.15041 9.68846 12.7102 8.259 9.98469 6.21925 numMergedOcc 0
77 mol 282 unq 0 iso 0 dist 9.06244 7.93511 10.499 6.84554 6.17747 4.58403 numMergedOcc 0
78 mol 282 unq 1 iso 0 dist 9.06244 7.93511 10.499 9.51581 7.94567 5.04235 numMergedOcc 0
79 mol 284 unq 0 iso 0 dist 7.78736 9.47963 12.1488 6.86342 11.5163 7.94887 numMergedOcc 0
