0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.0935 12.8323 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 6.49709 4.10106 4.61088 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 8.06275 5.41726 8.80331 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 12.0618 4.96926 5.73819 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 8.74209 10.4413 6.75943 14.4184 10.0383 8.93915 numMergedOcc 0
13 mol 43 unq 4 iso 0 dist 9.85555 5.46715 6.6263 13.5835 5.41726 8.80331 numMergedOcc 0
14 mol 43 unq 5 iso 0 dist 9.85555 12.902 6.75943 14.4841 4.96926 5.73819 numMergedOcc 0
15 mol 43 unq 6 iso 0 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 numMergedOcc 0
16 mol 43 unq 7 iso 0 dist 9.85555 12.902 6.75943 19.4359 10.0383 8.93915 numMergedOcc 0
17 mol 56 unq 0 iso 0 dist 8.15039 7.70367 9.03564 11.5793 6.75591 8.66265 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 numMergedOcc 0
21 mol 95 unq 2 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 numMergedOcc 0
23 mol 95 unq 4 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 numMergedOcc 0
24 mol 95 unq 5 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 numMergedOcc 0
25 mol 95 unq 6 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 numMergedOcc 0
26 mol 95 unq 7 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 numMergedOcc 0
27 mol 95 unq 8 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 numMergedOcc 0
31 mol 98 unq 3 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 11.7396 6.73011 7.34473 numMergedOcc 0
33 mol 109 unq 1 iso 0 dist 6.62354 5.68669 8.52024 9.26438 5.00433 8.69985 numMergedOcc 0
34 mol 109 unq 2 iso 0 dist 8.00085 6.80429 8.52024 6.43255 5.00433 8.69985 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 10.8115 5.70579 5.86073 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 numMergedOcc 0
39 mol 115 unq 3 iso 0 dist 8.54304 5.98221 6.24825 13.352 6.95773 9.33865 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 numMergedOcc 0
41 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.9305 6.57678 9.84395 numMergedOcc 0
42 mol 117 unq 1 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 numMergedOcc 0
45 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 numMergedOcc 0
47 mol 134 unq 4 iso 0 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 numMergedOcc 0
49 mol 134 unq 6 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 numMergedOcc 0
50 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 numMergedOcc 0
51 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 8.34839 5.39112 8.56324 numMergedOcc 0
52 mol 152 unq 1 iso 0 dist 9.4275 10.5295 6.70693 12.6531 4.94983 5.87555 numMergedOcc 0
53 mol 152 unq 2 iso 0 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 numMergedOcc 0
54 mol 152 unq 3 iso 0 dist 9.4275 10.5295 6.70693 14.5994 9.67475 8.67331 numMergedOcc 0
55 mol 152 unq 4 iso 0 dist 9.83462 5.65129 8.9192 8.34839 4.84714 8.56324 numMergedOcc 0
56 mol 182 unq 0 iso 0 dist 8.4603 5.4214 9.56028 11.8862 8.82964 9.31746 numMergedOcc 0
57 mol 186 unq 0 iso 0 dist 9.00537 9.40374 6.61112 10.8152 11.0961 7.54065 numMergedOcc 0
58 mol 186 unq 1 iso 0 dist 8.9388 12.4751 6.61112 18.4039 11.0961 7.54065 numMergedOcc 0
59 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 13.7769 9.49403 6.03031 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 numMergedOcc 0
61 mol 205 unq 2 iso 0 dist 6.32553 9.40714 6.52816 9.25882 3.56269 7.80463 numMergedOcc 0
62 mol 220 unq 0 iso 0 dist 7.71199 4.8419 8.2123 10.5119 4.49451 9.41367 numMergedOcc 0
63 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 numMergedOcc 0
64 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 numMergedOcc 0
65 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.32302 5.70473 8.22528 numMergedOcc 0
66 mol 229 unq 1 iso 0 dist 9.90415 6.52416 7.27993 6.88694 7.22525 7.03423 numMergedOcc 0
67 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 13.808 4.61227 9.87838 numMergedOcc 0
68 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 8.53615 5.70473 8.22528 numMergedOcc 0
69 mol 229 unq 4 iso 0 dist 5.96615 6.81165 7.27993 11.0334 7.22525 7.03423 numMergedOcc 0
70 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 9.97251 4.61227 9.87838 numMergedOcc 0
71 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 21.1847 12.4252 9.45496 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 9.73257 14.9272 7.81215 13.4679 5.75498 6.7625 numMergedOcc 0
73 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.9467 5.74165 8.23192 numMergedOcc 0
74 mol 243 unq 1 iso 0 dist 6.56525 5.8297 7.10671 10.8689 5.74165 8.23192 numMergedOcc 0
75 mol 243 unq 2 iso 0 dist 5.46817 5.8297 8.67156 10.8689 9.89868 8.23192 numMergedOcc 0
76 mol 252 unq 0 iso 0 dist 7.95045 7.16035 7.15764 11.4163 7.40852 7.19638 numMergedOcc 0
77 mol 277 unq 0 iso 0 dist 7.88009 9.57081 8.9682 16.2514 17.6038 9.7748 numMergedOcc 0
78 mol 277 unq 1 iso 0 dist 5.80061 9.57081 6.92711 16.2514 14.772 9.7748 numMergedOcc 0
79 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.0145 7.8414 8.2734 numMergedOcc 0
