0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 10.9859 6.91778 9.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 12.7599 9.6994 6.63977 7.40865 9.11323 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 13.3337 7.15528 6.63977 7.40865 9.46298 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19621 9.95 9.6994 4.76647 7.40865 9.11323 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 6.83587 7.15528 4.76647 7.40865 9.46298 numMergedOcc 0
5 mol 7 unq 0 iso 0 dist 8.23909 13.823 9.60499 13.7145 6.02702 8.43473 numMergedOcc 0
6 mol 7 unq 1 iso 0 dist 9.85726 11.5784 9.60499 5.25379 6.7985 6.55304 numMergedOcc 0
7 mol 7 unq 2 iso 0 dist 9.85726 11.5784 9.60499 5.03532 6.44736 12.2869 numMergedOcc 0
8 mol 7 unq 3 iso 0 dist 6.72215 5.38502 9.60499 6.11915 6.02702 8.43473 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 numMergedOcc 0
10 mol 16 unq 0 iso 0 dist 8.47315 5.59769 4.7319 12.1062 6.72833 6.51133 numMergedOcc 0
11 mol 16 unq 1 iso 0 dist 8.33883 5.38671 5.05803 10.2885 6.93532 5.30082 numMergedOcc 0
12 mol 16 unq 2 iso 0 dist 8.33883 5.45161 6.31718 10.2885 6.93532 10.4366 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 9.90845 9.89489 8.38394 13.0288 8.44664 5.30734 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 numMergedOcc 0
19 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 10.7304 8.95682 6.18002 numMergedOcc 0
20 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.7304 8.95682 8.38399 numMergedOcc 0
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22 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 8.02105 7.21717 13.86 numMergedOcc 0
23 mol 54 unq 2 iso 0 dist 6.59893 12.4254 8.10861 8.02105 7.21717 5.99981 numMergedOcc 0
24 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 7.93241 7.21717 15.293 numMergedOcc 0
25 mol 54 unq 4 iso 0 dist 5.59773 10.4238 6.83299 7.93241 7.21717 13.86 numMergedOcc 0
26 mol 54 unq 5 iso 0 dist 5.59773 10.1356 8.10861 7.93241 7.21717 5.99981 numMergedOcc 0
27 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 numMergedOcc 0
29 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 9.97686 8.08618 6.90592 numMergedOcc 0
30 mol 59 unq 1 iso 0 dist 6.48625 5.30842 9.21998 9.97686 8.08618 7.6021 numMergedOcc 0
31 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 numMergedOcc 0
33 mol 73 unq 2 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 numMergedOcc 0
34 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 numMergedOcc 0
35 mol 73 unq 4 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 numMergedOcc 0
36 mol 73 unq 5 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 numMergedOcc 0
37 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 9.52463 6.95572 9.50382 numMergedOcc 0
38 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 6.07224 7.38677 12.7565 numMergedOcc 0
39 mol 92 unq 2 iso 0 dist 4.98104 5.50764 6.82344 9.52463 6.95572 7.56363 numMergedOcc 0
40 mol 92 unq 3 iso 0 dist 4.98104 5.50764 6.82344 6.07224 7.38677 5.91004 numMergedOcc 0
41 mol 102 unq 0 iso 0 dist 9.01767 6.42572 7.36792 10.4216 8.31932 7.42011 numMergedOcc 0
42 mol 102 unq 1 iso 0 dist 9.80678 5.54551 7.36792 12.8733 8.31932 7.42011 numMergedOcc 0
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44 mol 115 unq 0 iso 0 dist 6.7225 5.39296 5.11551 6.39438 6.92026 6.77806 numMergedOcc 0
45 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 6.25204 8.00003 10.4376 numMergedOcc 0
46 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 numMergedOcc 0
47 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 6.34278 9.23858 9.89358 numMergedOcc 0
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49 mol 122 unq 1 iso 0 dist 8.33083 12.4383 8.37808 7.09391 9.23819 7.39059 numMergedOcc 0
50 mol 125 unq 0 iso 0 dist 8.84867 5.41246 8.62381 11.7281 7.73435 7.43922 numMergedOcc 0
51 mol 125 unq 1 iso 0 dist 8.84867 5.41246 8.62381 14.8614 9.3778 11.0769 numMergedOcc 0
52 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 4.43093 6.30546 6.0268 numMergedOcc 0
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54 mol 130 unq 1 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 numMergedOcc 0
55 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 numMergedOcc 0
56 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 13.6005 9.25558 5.09131 numMergedOcc 0
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58 mol 131 unq 3 iso 0 dist 6.5874 7.60371 6.85062 5.55307 9.25558 5.09131 numMergedOcc 0
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63 mol 156 unq 1 iso 0 dist 7.30021 5.75141 8.94056 9.69888 9.4013 6.13574 numMergedOcc 0
64 mol 156 unq 2 iso 0 dist 7.30021 12.865 9.83699 9.69888 9.4013 5.80008 numMergedOcc 0
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67 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 11.2787 6.59025 8.04639 numMergedOcc 0
68 mol 181 unq 2 iso 0 dist 6.00053 11.1879 8.03334 10.8517 6.46704 4.43096 numMergedOcc 0
69 mol 181 unq 3 iso 0 dist 6.00053 11.1879 8.03334 5.87168 6.59025 8.04639 numMergedOcc 0
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71 mol 197 unq 1 iso 0 dist 8.64255 11.8861 8.56633 7.59634 5.81233 10.7305 numMergedOcc 0
72 mol 197 unq 2 iso 0 dist 8.64255 11.8861 8.56633 10.3181 6.92924 5.41996 numMergedOcc 0
73 mol 197 unq 3 iso 0 dist 8.64255 11.8861 8.56633 14.2718 7.14306 6.64537 numMergedOcc 0
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75 mol 205 unq 1 iso 0 dist 8.43584 10.6123 7.45763 5.42117 4.8668 5.8535 numMergedOcc 0
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85 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 numMergedOcc 0
86 mol 227 unq 6 iso 0 dist 9.17826 10.6504 7.56888 16.3489 7.43071 9.76735 numMergedOcc 0
87 mol 227 unq 7 iso 0 dist 9.17826 10.6504 7.56888 5.75236 5.41321 5.10635 numMergedOcc 0
88 mol 227 unq 8 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 numMergedOcc 0
89 mol 227 unq 9 iso 0 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 numMergedOcc 0
90 mol 227 unq 10 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 numMergedOcc 0
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104 mol 249 unq 1 iso 0 dist 7.29898 8.95486 6.18582 10.4369 5.48118 7.04666 numMergedOcc 0
105 mol 249 unq 2 iso 0 dist 8.91685 5.25611 7.57994 13.4788 5.48118 10.7772 numMergedOcc 0
106 mol 249 unq 3 iso 0 dist 8.91685 9.66184 6.18582 13.4788 5.48118 7.04666 numMergedOcc 0
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111 mol 274 unq 1 iso 0 dist 9.696 5.1874 8.49997 14.679 9.85289 11.4459 numMergedOcc 0
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114 mol 282 unq 1 iso 0 dist 5.67266 4.58403 8.76532 7.46507 9.0975 8.12478 numMergedOcc 0
115 mol 282 unq 2 iso 0 dist 5.67266 5.04235 6.33524 7.46507 9.0975 5.0324 numMergedOcc 0
116 mol 282 unq 3 iso 0 dist 5.80981 9.60898 8.04483 7.79565 9.0975 5.65568 numMergedOcc 0
117 mol 282 unq 4 iso 0 dist 5.80981 10.5698 8.76532 7.79565 9.0975 8.12478 numMergedOcc 0
118 mol 282 unq 5 iso 0 dist 5.80981 8.37652 6.33524 7.79565 9.0975 5.0324 numMergedOcc 0
119 mol 282 unq 6 iso 0 dist 9.63346 4.85461 8.04483 10.4926 9.0975 5.65568 numMergedOcc 0
120 mol 282 unq 7 iso 0 dist 9.63346 13.108 8.76532 10.4926 9.0975 8.12478 numMergedOcc 0
121 mol 282 unq 8 iso 0 dist 9.63346 8.85797 6.33524 10.4926 9.0975 5.0324 numMergedOcc 0
