0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 5.7531 7.12263 7.27018 4.88215 12.4076 7.3915 8.53529 9.22548 8.79272 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 5.7531 7.12263 7.27018 4.88215 10.9495 10.6335 7.18019 11.4134 7.17012 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 5.7531 7.12263 7.27018 4.88215 8.09332 11.7258 8.44009 11.0684 6.31881 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 11.0223 5.00267 9.94625 6.80407 12.4076 7.3915 8.53529 9.22548 6.32152 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 11.0223 5.00267 9.94625 6.80407 10.9495 10.6335 7.18019 11.4134 12.9353 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 11.0223 5.00267 9.94625 6.80407 8.09332 11.7258 8.44009 11.0684 15.199 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 5.7531 7.12263 7.27018 6.36434 12.4076 7.3915 8.53529 7.96511 8.79272 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 5.7531 7.12263 7.27018 6.36434 10.9495 10.6335 7.18019 10.4705 7.17012 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 5.7531 7.12263 7.27018 6.36434 8.09332 11.7258 8.44009 11.8672 6.31881 numMergedOcc 0
9 mol 8 unq 9 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 11.0223 5.00267 9.94625 8.44094 12.4076 7.3915 8.53529 7.96511 6.32152 numMergedOcc 0
10 mol 8 unq 10 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 11.0223 5.00267 9.94625 8.44094 10.9495 10.6335 7.18019 10.4705 12.9353 numMergedOcc 0
11 mol 8 unq 11 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 11.0223 5.00267 9.94625 8.44094 8.09332 11.7258 8.44009 11.8672 15.199 numMergedOcc 0
12 mol 8 unq 12 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 5.7531 7.12263 7.27018 8.79272 10.9495 10.6335 7.18019 8.4069 7.17012 numMergedOcc 0
13 mol 8 unq 13 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 5.7531 7.12263 7.27018 8.79272 8.09332 11.7258 8.44009 12.9016 6.31881 numMergedOcc 0
14 mol 8 unq 14 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 11.0223 5.00267 9.94625 6.32152 10.9495 10.6335 7.18019 8.4069 12.9353 numMergedOcc 0
15 mol 8 unq 15 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 11.0223 5.00267 9.94625 6.32152 8.09332 11.7258 8.44009 12.9016 15.199 numMergedOcc 0
16 mol 8 unq 16 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 8.79272 7.12263 7.27018 5.7531 8.4069 10.6335 7.18019 10.9495 7.17012 numMergedOcc 0
17 mol 8 unq 17 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 8.79272 7.12263 7.27018 5.7531 12.9016 11.7258 8.44009 8.09332 6.31881 numMergedOcc 0
18 mol 8 unq 18 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 6.32152 5.00267 9.94625 11.0223 8.4069 10.6335 7.18019 10.9495 12.9353 numMergedOcc 0
19 mol 8 unq 19 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 6.32152 5.00267 9.94625 11.0223 12.9016 11.7258 8.44009 8.09332 15.199 numMergedOcc 0
20 mol 8 unq 20 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.79272 7.12263 7.27018 4.88215 12.4076 6.82379 7.03958 6.94408 5.7531 numMergedOcc 0
21 mol 8 unq 21 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.79272 7.12263 7.27018 4.88215 8.4069 10.6335 7.18019 11.4134 7.17012 numMergedOcc 0
22 mol 8 unq 22 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.79272 7.12263 7.27018 4.88215 12.9016 11.7258 8.44009 11.0684 6.31881 numMergedOcc 0
23 mol 8 unq 23 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 6.32152 5.00267 9.94625 6.80407 12.4076 6.82379 7.03958 6.94408 11.0223 numMergedOcc 0
24 mol 8 unq 24 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 6.32152 5.00267 9.94625 6.80407 8.4069 10.6335 7.18019 11.4134 12.9353 numMergedOcc 0
25 mol 8 unq 25 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 6.32152 5.00267 9.94625 6.80407 12.9016 11.7258 8.44009 11.0684 15.199 numMergedOcc 0
26 mol 8 unq 26 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.79272 7.12263 7.27018 6.36434 12.4076 6.82379 7.03958 11.2508 5.7531 numMergedOcc 0
27 mol 8 unq 27 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.79272 7.12263 7.27018 6.36434 8.4069 10.6335 7.18019 10.4705 7.17012 numMergedOcc 0
28 mol 8 unq 28 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.79272 7.12263 7.27018 6.36434 12.9016 11.7258 8.44009 11.8672 6.31881 numMergedOcc 0
29 mol 8 unq 29 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 6.32152 5.00267 9.94625 8.44094 12.4076 6.82379 7.03958 11.2508 11.0223 numMergedOcc 0
30 mol 8 unq 30 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 6.32152 5.00267 9.94625 8.44094 8.4069 10.6335 7.18019 10.4705 12.9353 numMergedOcc 0
31 mol 8 unq 31 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 6.32152 5.00267 9.94625 8.44094 12.9016 11.7258 8.44009 11.8672 15.199 numMergedOcc 0
32 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 10.4817 5.38458 9.17615 7.51034 6.14147 10.8213 7.32257 10.5747 13.329 numMergedOcc 0
33 mol 9 unq 1 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 7.51034 5.38458 9.17615 10.4817 10.5747 10.8213 7.32257 6.14147 13.329 numMergedOcc 0
34 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 10.3648 7.69625 17.0794 8.19436 7.67038 10.1882 8.40416 7.83352 11.8484 numMergedOcc 0
35 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 10.3648 7.69625 17.0794 6.49317 7.67038 10.1882 8.40416 10.3915 11.8484 numMergedOcc 0
36 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 6.58998 9.38831 11.5841 11.0493 11.4989 14.156 6.73939 18.3227 9.48345 numMergedOcc 0
37 mol 24 unq 1 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 9.48345 9.40479 11.5841 13.1456 11.4989 13.0257 9.41441 19.2131 6.58998 numMergedOcc 0
38 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 14.4162 9.58012 18.2994 10.0655 11.4989 13.0257 9.41441 19.2131 18.0881 numMergedOcc 0
39 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.7735 7.63183 15.0563 9.38161 10.6225 14.2622 5.78706 14.5131 20.3681 numMergedOcc 0
40 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.7735 7.63183 15.0563 9.38161 11.4338 13.6237 7.23884 15.4363 20.9886 numMergedOcc 0
41 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.7735 7.63183 15.0563 9.38161 7.72877 5.74854 7.5242 11.0242 13.1711 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.7735 7.63183 15.0563 10.5878 10.6225 14.2622 5.78706 15.9181 20.3681 numMergedOcc 0
43 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.7735 7.63183 15.0563 10.5878 11.4338 13.6237 7.23884 13.0364 20.9886 numMergedOcc 0
44 mol 98 unq 5 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.7735 7.63183 15.0563 10.5878 7.72877 5.74854 7.5242 5.09649 13.1711 numMergedOcc 0
45 mol 98 unq 6 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 10.7735 7.63183 15.0563 13.1711 10.6225 14.2622 5.78706 12.7411 20.3681 numMergedOcc 0
46 mol 98 unq 7 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 10.7735 7.63183 15.0563 13.1711 11.4338 13.6237 7.23884 9.30161 20.9886 numMergedOcc 0
47 mol 98 unq 8 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 10.7735 7.63183 15.0563 7.42291 10.6225 14.2622 5.78706 20.9739 20.3681 numMergedOcc 0
48 mol 98 unq 9 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 10.7735 7.63183 15.0563 7.42291 11.4338 13.6237 7.23884 19.6082 20.9886 numMergedOcc 0
49 mol 98 unq 10 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 10.7735 7.63183 15.0563 7.42291 7.72877 5.74854 7.5242 11.9511 13.1711 numMergedOcc 0
50 mol 98 unq 11 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.7735 7.63183 15.0563 8.01486 10.6225 14.2622 5.78706 22.8854 20.3681 numMergedOcc 0
51 mol 98 unq 12 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.7735 7.63183 15.0563 8.01486 11.4338 13.6237 7.23884 20.7357 20.9886 numMergedOcc 0
52 mol 98 unq 13 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.7735 7.63183 15.0563 8.01486 7.72877 5.74854 7.5242 11.569 13.1711 numMergedOcc 0
53 mol 98 unq 14 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 13.1711 7.63183 15.0563 10.7735 12.7411 14.2622 5.78706 10.6225 20.3681 numMergedOcc 0
54 mol 98 unq 15 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 13.1711 7.63183 15.0563 10.7735 9.30161 13.6237 7.23884 11.4338 20.9886 numMergedOcc 0
55 mol 98 unq 16 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 13.1711 7.63183 15.0563 9.38161 12.7411 14.2622 5.78706 14.5131 20.3681 numMergedOcc 0
56 mol 98 unq 17 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 13.1711 7.63183 15.0563 9.38161 9.30161 13.6237 7.23884 15.4363 20.9886 numMergedOcc 0
57 mol 98 unq 18 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 13.1711 7.63183 15.0563 9.38161 7.72877 5.88354 5.59328 4.50554 10.7735 numMergedOcc 0
58 mol 98 unq 19 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 13.1711 7.63183 15.0563 10.5878 12.7411 14.2622 5.78706 15.9181 20.3681 numMergedOcc 0
59 mol 98 unq 20 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 13.1711 7.63183 15.0563 10.5878 9.30161 13.6237 7.23884 13.0364 20.9886 numMergedOcc 0
60 mol 98 unq 21 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 13.1711 7.63183 15.0563 10.5878 7.72877 5.88354 5.59328 7.40461 10.7735 numMergedOcc 0
61 mol 98 unq 22 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 13.1711 7.63183 15.0563 7.42291 12.7411 14.2622 5.78706 20.9739 20.3681 numMergedOcc 0
62 mol 98 unq 23 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 13.1711 7.63183 15.0563 7.42291 9.30161 13.6237 7.23884 19.6082 20.9886 numMergedOcc 0
63 mol 98 unq 24 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 13.1711 7.63183 15.0563 7.42291 7.72877 5.88354 5.59328 10.51 10.7735 numMergedOcc 0
64 mol 98 unq 25 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 13.1711 7.63183 15.0563 8.01486 12.7411 14.2622 5.78706 22.8854 20.3681 numMergedOcc 0
65 mol 98 unq 26 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 13.1711 7.63183 15.0563 8.01486 9.30161 13.6237 7.23884 20.7357 20.9886 numMergedOcc 0
66 mol 98 unq 27 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 13.1711 7.63183 15.0563 8.01486 7.72877 5.88354 5.59328 13.5683 10.7735 numMergedOcc 0
67 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 8.24418 8.26172 11.5185 9.76015 11.4307 10.271 9.70413 14.7832 7.52396 numMergedOcc 0
68 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 4.44751 7.82546 7.32555 9.61561 4.91149 11.3367 6.64834 11.6409 6.83134 numMergedOcc 0
69 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 4.44751 7.82546 7.32555 9.61561 8.07119 11.661 7.36698 14.1033 6.66219 numMergedOcc 0
70 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.44751 7.82546 7.32555 10.2067 4.91149 11.3367 6.64834 16.6897 6.83134 numMergedOcc 0
71 mol 171 unq 3 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.44751 7.82546 7.32555 10.2067 7.31409 5.10618 8.24693 13.7214 9.61561 numMergedOcc 0
72 mol 171 unq 4 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.44751 7.82546 7.32555 10.2067 8.07119 11.661 7.36698 14.3688 6.66219 numMergedOcc 0
73 mol 171 unq 5 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 4.44751 7.82546 10.3097 10.2067 7.31409 5.10618 6.71356 13.7214 9.61561 numMergedOcc 0
74 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 9.61561 7.82546 7.32555 4.44751 11.6409 11.3367 6.64834 4.91149 6.83134 numMergedOcc 0
75 mol 171 unq 7 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 9.61561 7.82546 7.32555 4.44751 14.1033 11.661 7.36698 8.07119 6.66219 numMergedOcc 0
76 mol 171 unq 8 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 9.61561 7.82546 7.32555 10.2067 11.6409 11.3367 6.64834 16.6897 6.83134 numMergedOcc 0
77 mol 171 unq 9 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 9.61561 7.82546 7.32555 10.2067 7.31409 7.71426 5.93786 13.6814 4.44751 numMergedOcc 0
78 mol 171 unq 10 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 9.61561 7.82546 7.32555 10.2067 14.1033 11.661 7.36698 14.3688 6.66219 numMergedOcc 0
79 mol 171 unq 11 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 9.61561 7.82546 10.3097 10.2067 7.31409 7.71426 8.1344 13.6814 4.44751 numMergedOcc 0
80 mol 186 unq 0 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 12.7155 7.55358 17.9524 9.97575 14.5862 19.2622 7.76163 20.2787 25.508 numMergedOcc 0
81 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 11.2142 8.87818 17.7762 7.92653 14.5862 19.2622 7.76163 20.2787 24.7773 numMergedOcc 0
82 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 5.72331 9.81305 10.5789 12.6437 8.31875 11.0084 6.21292 12.0774 8.76601 numMergedOcc 0
83 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 5.72331 9.81305 10.5789 12.6437 10.5547 11.2916 9.21736 9.36951 9.55257 numMergedOcc 0
84 mol 235 unq 2 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 8.33772 6.89118 10.4925 5.70265 8.31875 11.0084 6.21292 12.0774 9.28673 numMergedOcc 0
85 mol 235 unq 3 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 8.33772 6.89118 10.4925 5.70265 10.5547 11.2916 9.21736 9.36951 7.29678 numMergedOcc 0
86 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 9.59927 7.31113 6.11495 6.46131 14.5975 10.065 6.99315 12.2818 6.01573 numMergedOcc 0
87 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 10.7975 8.10263 11.4891 6.89616 14.5975 10.065 6.99315 12.2818 10.461 numMergedOcc 0
88 mol 237 unq 2 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 5.63225 6.45845 11.7571 7.36499 14.5975 10.065 6.99315 12.2818 14.5664 numMergedOcc 0
89 mol 237 unq 3 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 5.12181 9.53139 9.36216 10.2142 14.5975 10.065 6.99315 12.2818 15.2418 numMergedOcc 0
90 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 5.40359 6.4398 10.1217 10.7508 9.89583 14.4327 5.87253 10.0191 7.32982 9.24557 10.1648 10.7551 numMergedOcc 0
91 mol 238 unq 1 iso 0 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 10.7551 9.89583 14.4327 5.87253 10.0191 6.66971 7.57812 5.40359 10.7508 numMergedOcc 0
92 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 6.6525 6.47194 12.3072 5.27959 12.321 16.6122 9.63959 15.3294 18.1333 numMergedOcc 0
93 mol 258 unq 1 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 6.6525 6.47194 12.3072 5.27959 10.7374 14.5215 9.96262 17.8129 16.8629 numMergedOcc 0
