0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 5.7531 7.12263 7.27018 12.4076 7.3915 8.53529 8.79272 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 5.7531 7.12263 7.27018 10.9495 10.6335 7.18019 7.17012 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 5.7531 7.12263 7.27018 8.09332 11.7258 8.44009 6.31881 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 11.0223 5.00267 9.94625 12.4076 7.3915 8.53529 6.32152 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 11.0223 5.00267 9.94625 10.9495 10.6335 7.18019 12.9353 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 11.0223 5.00267 9.94625 8.09332 11.7258 8.44009 15.199 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 8.53529 5.65816 8.79272 7.12263 7.27018 12.4076 6.82379 7.03958 5.7531 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 8.53529 5.65816 8.79272 7.12263 7.27018 8.4069 10.6335 7.18019 7.17012 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 7.3915 8.53529 5.65816 8.79272 7.12263 7.27018 12.9016 11.7258 8.44009 6.31881 numMergedOcc 0
9 mol 8 unq 9 iso 0 dist 7.3915 8.53529 5.65816 6.32152 5.00267 9.94625 12.4076 6.82379 7.03958 11.0223 numMergedOcc 0
10 mol 8 unq 10 iso 0 dist 7.3915 8.53529 5.65816 6.32152 5.00267 9.94625 8.4069 10.6335 7.18019 12.9353 numMergedOcc 0
11 mol 8 unq 11 iso 0 dist 7.3915 8.53529 5.65816 6.32152 5.00267 9.94625 12.9016 11.7258 8.44009 15.199 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.119 5.55437 10.7921 6.14147 10.5699 6.55811 8.74199 numMergedOcc 0
13 mol 9 unq 1 iso 0 dist 7.05346 7.32257 8.88528 6.119 5.55437 10.7921 10.5747 12.6235 8.64915 10.9454 numMergedOcc 0
14 mol 9 unq 2 iso 0 dist 7.9944 6.55811 4.58685 10.4817 5.38458 9.17615 6.14147 10.8213 7.32257 13.329 numMergedOcc 0
15 mol 9 unq 3 iso 0 dist 7.9944 6.55811 4.58685 10.4817 5.38458 9.17615 5.06358 7.032 8.64915 7.51034 numMergedOcc 0
16 mol 9 unq 4 iso 0 dist 7.9944 7.36018 5.83039 10.4817 5.38458 10.7794 5.06358 7.032 8.17347 7.51034 numMergedOcc 0
17 mol 9 unq 5 iso 0 dist 7.032 8.64915 4.58685 7.51034 5.38458 9.17615 10.5747 10.8213 7.32257 13.329 numMergedOcc 0
18 mol 9 unq 6 iso 0 dist 7.032 8.64915 4.58685 7.51034 5.38458 9.17615 5.06358 7.9944 6.55811 10.4817 numMergedOcc 0
19 mol 9 unq 7 iso 0 dist 7.032 8.17347 5.83039 7.51034 5.38458 10.7794 5.06358 7.9944 7.36018 10.4817 numMergedOcc 0
20 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.3648 7.69625 17.0794 7.67038 10.1882 8.40416 11.8484 numMergedOcc 0
21 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 11.4989 14.156 6.73939 9.48345 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 14.6259 11.2485 8.4051 4.33963 numMergedOcc 0
23 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 10.0952 10.7114 7.29868 12.0003 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 14.6259 11.2485 8.4051 17.4067 numMergedOcc 0
25 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 10.0952 10.7114 7.29868 6.00575 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 11.2106 9.40479 8.16324 14.6259 11.2485 8.75662 4.33963 numMergedOcc 0
27 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 5.97304 9.38831 14.4545 14.6259 11.2485 8.75662 17.4067 numMergedOcc 0
28 mol 24 unq 7 iso 0 dist 4.93188 8.70827 9.75636 9.48345 9.40479 13.9848 12.3067 9.24958 9.12854 13.1456 numMergedOcc 0
29 mol 24 unq 8 iso 0 dist 4.93188 8.70827 9.75636 14.4162 9.58012 16.8872 12.3067 9.24958 9.12854 10.0655 numMergedOcc 0
30 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 11.4989 13.0257 9.41441 6.58998 numMergedOcc 0
31 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 11.4989 13.0257 9.41441 18.0881 numMergedOcc 0
32 mol 24 unq 11 iso 0 dist 9.24958 9.12854 9.75636 13.1456 9.40479 13.9848 12.3067 4.93188 8.70827 9.48345 numMergedOcc 0
33 mol 24 unq 12 iso 0 dist 9.24958 9.12854 9.75636 10.0655 9.58012 16.8872 12.3067 4.93188 8.70827 14.4162 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 10.7735 7.63183 15.0563 10.6225 14.2622 5.78706 20.3681 numMergedOcc 0
35 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 10.7735 7.63183 15.0563 11.4338 13.6237 7.23884 20.9886 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 10.7735 7.63183 15.0563 7.72877 5.74854 7.5242 13.1711 numMergedOcc 0
37 mol 98 unq 3 iso 0 dist 5.74854 7.5242 8.53212 13.1711 7.63183 15.0563 12.7411 14.2622 5.78706 20.3681 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 5.74854 7.5242 8.53212 13.1711 7.63183 15.0563 9.30161 13.6237 7.23884 20.9886 numMergedOcc 0
39 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 13.1711 7.63183 15.0563 7.72877 5.88354 5.59328 10.7735 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.99056 8.03035 8.8562 4.85907 8.56342 6.52773 3.78311 numMergedOcc 0
41 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 3.78311 8.03035 8.8562 4.85907 7.99857 9.11344 4.99056 numMergedOcc 0
42 mol 119 unq 2 iso 0 dist 6.37542 6.52773 4.86811 3.78311 7.6968 8.8562 4.85907 10.4631 9.11344 4.99056 numMergedOcc 0
43 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 11.4307 10.271 9.70413 7.52396 numMergedOcc 0
44 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 4.91149 11.3367 6.64834 6.83134 numMergedOcc 0
45 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 7.31409 5.10618 8.24693 9.61561 numMergedOcc 0
46 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 8.07119 11.661 7.36698 6.66219 numMergedOcc 0
47 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 4.44751 7.82546 10.3097 7.31409 5.10618 6.71356 9.61561 numMergedOcc 0
48 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 11.6409 11.3367 6.64834 6.83134 numMergedOcc 0
49 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 7.31409 7.71426 5.93786 4.44751 numMergedOcc 0
50 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 14.1033 11.661 7.36698 6.66219 numMergedOcc 0
51 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 9.61561 7.82546 10.3097 7.31409 7.71426 8.1344 4.44751 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 8.12143 7.23293 12.1418 14.5862 14.713 8.73217 18.1802 numMergedOcc 0
53 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 12.7155 7.55358 17.9524 14.5862 19.2622 7.76163 25.508 numMergedOcc 0
54 mol 186 unq 2 iso 0 dist 7.20574 8.73217 11.8992 11.2142 8.87818 17.7762 14.5862 19.2622 7.76163 24.7773 numMergedOcc 0
55 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 11.0628 9.56257 14.3567 4.39704 12.2278 6.02296 12.9587 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.72331 9.81305 10.5789 8.31875 11.0084 6.21292 8.76601 numMergedOcc 0
57 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 5.72331 9.81305 10.5789 10.5547 11.2916 9.21736 9.55257 numMergedOcc 0
58 mol 235 unq 2 iso 0 dist 6.39158 6.36341 7.85398 8.33772 6.89118 10.4925 8.31875 11.0084 6.21292 9.28673 numMergedOcc 0
59 mol 235 unq 3 iso 0 dist 6.39158 6.36341 7.85398 8.33772 6.89118 10.4925 10.5547 11.2916 9.21736 7.29678 numMergedOcc 0
60 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 9.59927 7.31113 6.11495 14.5975 10.065 6.99315 6.01573 numMergedOcc 0
61 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 10.7975 8.10263 11.4891 14.5975 10.065 6.99315 10.461 numMergedOcc 0
62 mol 237 unq 2 iso 0 dist 6.50471 9.60163 6.12402 5.63225 6.45845 11.7571 14.5975 10.065 6.99315 14.5664 numMergedOcc 0
63 mol 237 unq 3 iso 0 dist 6.50471 9.60163 6.12402 5.12181 9.53139 9.36216 14.5975 10.065 6.99315 15.2418 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 10.7508 9.89583 14.4327 10.0191 7.32982 9.24557 10.7551 numMergedOcc 0
65 mol 238 unq 1 iso 0 dist 7.32982 9.24557 4.77308 10.7551 9.89583 14.4327 10.0191 6.66971 7.57812 10.7508 numMergedOcc 0
66 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 6.6525 6.47194 12.3072 12.321 16.6122 9.63959 18.1333 numMergedOcc 0
67 mol 258 unq 1 iso 0 dist 6.70815 7.21311 8.10604 6.6525 6.47194 12.3072 10.7374 14.5215 9.96262 16.8629 numMergedOcc 0
