0 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.4834 8.40416 9.74255 13.3505 7.67038 4.54938 7.75618 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 10.4834 8.40416 9.74255 16.7413 10.3915 7.82074 12.3215 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 10.4834 8.40416 7.08342 13.3505 7.67038 6.864 7.75618 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 10.6504 7.33768 4.32034 15.5112 10.0952 8.86116 12.9284 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 15.919 9.01567 8.67951 15.5112 10.0952 8.86116 13.4393 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.0319 11.4109 6.86014 15.2997 7.29868 8.52463 15.5112 10.0952 8.86116 8.60554 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 11.3298 8.95682 8.38399 12.7352 5.06502 5.73819 12.3649 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 11.3298 8.95682 8.38399 10.5813 6.45462 8.93915 14.3789 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 3.85789 6.73347 9.64444 18.0681 10.0246 6.85766 14.8852 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.7042 9.24757 5.11416 14.8693 15.7123 9.38498 13.8696 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 14.7042 9.24757 5.11416 10.5158 12.016 9.75218 13.0145 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 13.5302 7.54568 8.09967 14.3639 5.42586 7.97049 10.0796 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 13.5302 7.54568 4.65335 14.3639 5.42586 7.47541 10.0796 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 13.5302 7.54568 4.65335 19.3849 10.1164 5.73196 9.39864 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 12.5859 7.01812 5.80144 11.1764 5.88134 6.65086 8.30845 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 12.5859 7.01812 10.0456 11.1764 5.88134 6.56369 8.30845 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 10.6748 8.30845 12.2861 14.2807 5.33144 6.45675 10.6086 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.6748 8.30845 12.2861 15.6365 10.1407 8.86688 18.1777 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 9.64716 8.76378 15.5385 14.2807 5.33144 6.45675 13.2102 numMergedOcc 0
19 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 9.64716 8.76378 15.5385 15.6365 10.1407 8.86688 14.0386 numMergedOcc 0
20 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 10.6748 8.30845 5.80144 12.7823 5.88134 9.60661 7.01812 numMergedOcc 0
21 mol 100 unq 7 iso 0 dist 9.22737 6.60925 6.65086 9.64716 8.76378 12.3577 12.7823 5.88134 9.60661 10.0635 numMergedOcc 0
22 mol 100 unq 8 iso 0 dist 9.22737 4.95357 6.56369 10.6748 8.30845 10.0456 12.7823 5.88134 9.35224 7.01812 numMergedOcc 0
23 mol 100 unq 9 iso 0 dist 9.22737 4.95357 6.56369 9.64716 8.76378 4.97045 12.7823 5.88134 9.35224 10.0635 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.72162 9.36851 10.7293 11.3703 9.05135 9.61051 16.0242 numMergedOcc 0
25 mol 129 unq 1 iso 0 dist 8.59695 6.13737 5.83384 7.95267 4.97175 7.29399 11.3703 9.05135 9.61051 13.4182 numMergedOcc 0
26 mol 129 unq 2 iso 0 dist 6.42706 5.12351 5.83384 13.0193 9.36851 10.7293 12.0652 9.05135 9.61051 16.0242 numMergedOcc 0
27 mol 129 unq 3 iso 0 dist 6.42706 5.12351 5.83384 8.03693 4.97175 7.29399 12.0652 9.05135 9.61051 13.4182 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 11.4871 6.16242 4.54648 15.4305 7.81217 6.80239 5.87634 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 8.97762 9.74121 6.29155 11.4871 6.16242 4.54648 16.5229 11.965 8.00618 10.9061 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 9.1146 11.0256 7.11802 15.0618 9.22232 16.0138 15.6213 8.18495 8.00618 12.7901 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 9.1146 11.0256 7.11802 9.68947 9.22661 5.92062 15.6213 8.18495 8.00618 13.5028 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 9.1146 11.0256 7.11802 5.10826 7.56378 6.61891 15.6213 8.18495 8.00618 11.8433 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 12.3839 7.80532 7.41674 13.8807 5.79898 9.89303 5.83771 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 12.3839 7.80532 9.87376 15.1513 8.80819 8.94367 10.5252 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 12.3839 7.80532 9.87376 11.3169 5.00817 6.37586 10.7586 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 7.18433 9.39829 7.20191 11.1074 8.85576 7.63312 6.41453 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 7.56138 5.44002 10.3603 9.80543 7.38516 6.03031 12.3113 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 7.56138 5.44002 10.3603 12.4766 13.8543 7.80463 17.9798 numMergedOcc 0
39 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 11.6019 6.16414 6.45859 8.95375 5.63422 9.774 7.75885 numMergedOcc 0
40 mol 206 unq 1 iso 0 dist 8.11407 7.72969 7.7366 9.98867 7.33701 4.40897 8.95375 5.63422 9.774 11.4872 numMergedOcc 0
41 mol 206 unq 2 iso 0 dist 8.11407 7.72969 7.7366 9.88398 8.0871 7.62219 8.95375 5.63422 9.774 13.2041 numMergedOcc 0
42 mol 206 unq 3 iso 0 dist 8.95375 7.72969 9.774 11.6019 7.75885 6.45859 8.11407 5.63422 7.7366 6.16414 numMergedOcc 0
43 mol 206 unq 4 iso 0 dist 9.29007 9.9578 9.774 6.64436 7.75885 6.45859 11.3921 5.63422 7.7366 6.16414 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 6.30638 9.81425 4.46561 10.8568 5.88703 9.45496 13.293 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 6.30638 9.81425 10.641 10.8568 5.88703 6.7625 13.293 numMergedOcc 0
46 mol 261 unq 0 iso 0 dist 5.00128 5.09097 8.43057 6.76449 8.43974 8.29908 9.77784 10.1239 7.73141 14.8495 numMergedOcc 0
47 mol 261 unq 1 iso 0 dist 6.58604 11.9784 8.43057 7.91847 8.43974 8.29908 15.9156 10.1239 7.73141 14.8495 numMergedOcc 0
48 mol 261 unq 2 iso 0 dist 7.30472 11.6843 8.43057 5.08716 8.43974 8.29908 16.5234 10.1239 7.73141 14.8495 numMergedOcc 0
49 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 4.73332 8.49177 9.25493 13.6353 7.03728 6.92774 12.8175 numMergedOcc 0
50 mol 273 unq 1 iso 0 dist 9.37841 9.71586 9.01049 4.73332 8.49177 9.25493 10.4633 8.05475 9.2983 12.7219 numMergedOcc 0
