0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 13.5785 6.0225 9.72725 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 14.4965 12.8323 9.87885 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 5.59847 4.10106 6.54358 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 10.0048 6.86055 7.65889 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 10.2624 4.82629 6.6219 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 13.5967 10.1698 5.68215 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.40392 8.59466 7.36323 13.1831 6.28159 8.87744 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.40392 8.59466 7.36323 11.0243 5.50396 7.27472 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 10.8355 4.96926 6.75943 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.06275 5.5249 8.80331 8.74209 5.41726 6.6263 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 8.74209 5.41726 6.75943 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 8.90024 13.9129 8.80331 10.8355 5.41726 6.6263 numMergedOcc 0
12 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 10.8355 5.41726 6.75943 numMergedOcc 0
13 mol 43 unq 5 iso 0 dist 6.78532 5.84171 8.93915 10.8355 10.0383 6.75943 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 10.7474 5.16015 9.86334 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 13.9281 5.69391 9.55118 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 22.0093 13.4212 9.10345 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 11.3204 7.47371 7.12321 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 5.48831 10.5933 9.78528 11.3204 7.47371 6.21799 numMergedOcc 0
19 mol 72 unq 4 iso 0 dist 5.48831 10.5933 9.78528 12.3271 9.67587 5.03251 numMergedOcc 0
20 mol 72 unq 5 iso 0 dist 5.48831 10.5933 9.78528 9.20886 7.07356 7.66093 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 13.066 4.41789 7.7068 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 10.3799 4.46885 8.3773 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 8.3558 15.1474 7.4729 11.6676 4.46885 8.3773 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 10.3611 3.94537 9.3948 numMergedOcc 0
25 mol 95 unq 1 iso 0 dist 8.07365 14.1188 7.27724 9.96649 6.12605 9.74607 numMergedOcc 0
26 mol 95 unq 2 iso 0 dist 7.90775 4.16047 9.03572 8.57607 4.99174 8.27883 numMergedOcc 0
27 mol 95 unq 3 iso 0 dist 7.90775 4.16047 9.03572 6.1991 4.46005 5.75428 numMergedOcc 0
28 mol 95 unq 4 iso 0 dist 7.90775 4.16047 9.03572 5.96246 8.28518 8.57395 numMergedOcc 0
29 mol 95 unq 5 iso 0 dist 7.90775 4.16047 9.03572 10.1197 15.917 9.85409 numMergedOcc 0
30 mol 95 unq 6 iso 0 dist 6.86713 9.70895 8.03644 16.0926 11.3215 9.3948 numMergedOcc 0
31 mol 95 unq 7 iso 0 dist 6.86713 9.70895 8.03644 11.392 5.06946 9.74607 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 numMergedOcc 0
33 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 9.83528 15.1765 6.48948 15.0815 7.03983 7.02507 numMergedOcc 0
35 mol 98 unq 3 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 numMergedOcc 0
36 mol 98 unq 4 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 numMergedOcc 0
37 mol 98 unq 5 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 numMergedOcc 0
38 mol 98 unq 6 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 numMergedOcc 0
39 mol 98 unq 7 iso 0 dist 7.54969 10.3366 6.48948 12.3426 7.03983 7.02507 numMergedOcc 0
40 mol 98 unq 8 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 numMergedOcc 0
41 mol 98 unq 9 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 numMergedOcc 0
42 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 6.62354 5.00433 8.52024 numMergedOcc 0
43 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 8.00085 5.00433 8.52024 numMergedOcc 0
44 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 11.8878 5.00433 8.52024 numMergedOcc 0
45 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 11.6773 5.70579 8.80934 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 10.7738 4.88025 8.26547 numMergedOcc 0
47 mol 133 unq 1 iso 0 dist 7.5055 5.61003 6.82262 10.7738 4.88025 9.05342 numMergedOcc 0
48 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 14.395 10.8635 9.33094 numMergedOcc 0
49 mol 134 unq 1 iso 0 dist 8.84656 16.7911 9.71307 18.4308 15.0225 9.1998 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 14.395 10.8635 8.69531 numMergedOcc 0
51 mol 134 unq 3 iso 0 dist 4.9155 10.879 6.49416 14.395 12.3479 9.33094 numMergedOcc 0
52 mol 134 unq 4 iso 0 dist 8.49987 10.9399 6.49416 14.5869 12.3479 9.33094 numMergedOcc 0
53 mol 134 unq 5 iso 0 dist 9.42271 7.07625 6.49416 6.14652 12.3479 9.33094 numMergedOcc 0
54 mol 134 unq 6 iso 0 dist 5.79157 13.0109 9.86662 8.8437 4.00092 7.21868 numMergedOcc 0
55 mol 134 unq 7 iso 0 dist 5.79157 14.1608 9.71307 14.4761 10.2026 9.33924 numMergedOcc 0
56 mol 134 unq 8 iso 0 dist 5.79157 14.1608 9.71307 8.8437 4.00092 7.93372 numMergedOcc 0
57 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 11.8017 13.1926 7.36975 numMergedOcc 0
58 mol 143 unq 1 iso 0 dist 7.73769 7.36837 5.99315 12.3347 7.39837 5.40637 numMergedOcc 0
59 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 9.4275 5.39112 6.59889 numMergedOcc 0
60 mol 152 unq 1 iso 0 dist 8.34839 5.65129 8.56324 9.83462 4.84714 8.9192 numMergedOcc 0
61 mol 152 unq 2 iso 0 dist 8.34839 10.5295 6.70283 9.4275 5.39112 6.70693 numMergedOcc 0
62 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 12.4675 7.87971 7.20495 numMergedOcc 0
63 mol 167 unq 1 iso 0 dist 6.53913 12.4033 9.87651 11.4273 12.0033 9.2289 numMergedOcc 0
64 mol 167 unq 2 iso 0 dist 6.53913 12.4033 9.87651 12.8389 11.6011 7.02548 numMergedOcc 0
65 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 10.9114 6.42973 7.06025 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 11.0622 6.50233 9.76212 numMergedOcc 0
67 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 6.32553 3.56269 6.52816 numMergedOcc 0
68 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 11.0981 12.8595 6.74196 numMergedOcc 0
69 mol 222 unq 1 iso 0 dist 7.88846 6.17038 7.54212 14.5172 12.5866 8.36842 numMergedOcc 0
70 mol 222 unq 2 iso 0 dist 7.88846 6.17038 7.54212 15.5123 11.9567 9.75472 numMergedOcc 0
71 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 11.7375 4.54188 6.8692 numMergedOcc 0
72 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 9.90415 5.70473 7.27993 numMergedOcc 0
73 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 9.90415 7.22525 7.27993 numMergedOcc 0
74 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 5.96615 5.70473 7.27993 numMergedOcc 0
75 mol 236 unq 0 iso 0 dist 8.95071 12.8358 6.27581 14.8517 10.5774 9.3206 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 8.97461 11.6506 7.31233 18.2277 10.3162 9.12776 numMergedOcc 0
77 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 numMergedOcc 0
78 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 12.6512 5.71505 8.69318 numMergedOcc 0
79 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 11.6204 4.58289 9.05018 numMergedOcc 0
