0 mol 5 unq 0 iso 0 dist 8.4458 6.08588 6.86923 9.20252 5.69239 10.7591 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.4458 5.19367 9.95226 9.20252 5.69239 10.9809 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.4458 5.51169 4.60775 9.20252 5.69239 3.91535 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.4458 8.65826 8.64744 9.20252 5.69239 6.94674 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.18025 10.4423 5.40468 6.23163 6.83186 7.16699 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.10105 10.2926 5.47299 6.37744 6.83186 7.27588 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 9.08001 12.8054 5.47299 9.94056 6.83186 7.27588 numMergedOcc 0
7 mol 11 unq 3 iso 0 dist 9.13942 12.8997 5.40468 9.91307 6.83186 7.16699 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.9943 17.3318 8.92334 13.6681 9.74532 9.71507 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 7.41497 12.4176 8.09862 3.55555 7.08766 9.64948 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 7.41497 7.06077 8.97167 3.55555 7.08766 10.1805 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 5.27732 12.4176 8.89114 3.55555 4.82199 9.64948 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 5.27732 7.06077 8.8182 3.55555 4.82199 10.1805 numMergedOcc 0
13 mol 63 unq 0 iso 0 dist 7.8778 6.71384 6.42443 7.73238 9.13228 12.6017 numMergedOcc 0
14 mol 63 unq 1 iso 0 dist 8.13565 10.5786 6.42443 3.59944 9.13228 12.6017 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 8.09327 4.21782 8.67342 5.94192 6.67137 4.8069 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.09327 4.21782 8.67342 16.1956 9.78707 18.1303 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 8.09327 7.81337 5.73739 5.94192 6.67137 10.0178 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.09327 7.81337 5.73739 16.1956 9.78707 12.1664 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 6.7686 4.21782 8.60062 7.16843 7.07839 11.1042 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 6.7686 4.21782 8.60062 6.78342 7.91193 10.9585 numMergedOcc 0
21 mol 85 unq 6 iso 0 dist 6.7686 4.21782 8.60062 4.24179 9.09711 7.55572 numMergedOcc 0
22 mol 85 unq 7 iso 0 dist 6.7686 4.21782 8.60062 5.94192 7.04244 4.8069 numMergedOcc 0
23 mol 85 unq 8 iso 0 dist 6.7686 4.21782 8.60062 16.1956 9.63449 18.1303 numMergedOcc 0
24 mol 85 unq 9 iso 0 dist 6.7686 7.81337 5.16225 7.16843 7.07839 10.0529 numMergedOcc 0
25 mol 85 unq 10 iso 0 dist 6.7686 7.81337 5.16225 4.24179 9.09711 8.41797 numMergedOcc 0
26 mol 85 unq 11 iso 0 dist 6.7686 7.81337 5.16225 6.78342 7.91193 9.0874 numMergedOcc 0
27 mol 85 unq 12 iso 0 dist 6.7686 7.81337 5.16225 5.94192 7.04244 10.0178 numMergedOcc 0
28 mol 85 unq 13 iso 0 dist 6.7686 7.81337 5.16225 16.1956 9.63449 12.1664 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 7.09378 9.01071 6.27378 5.79743 5.10589 10.1931 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 7.09378 9.01071 6.27378 7.98467 4.63336 10.5136 numMergedOcc 0
31 mol 169 unq 2 iso 0 dist 7.09378 9.01071 6.27378 7.33201 6.10715 10.212 numMergedOcc 0
32 mol 169 unq 3 iso 0 dist 7.57745 13.5108 6.27378 3.96954 5.10589 10.1931 numMergedOcc 0
33 mol 169 unq 4 iso 0 dist 7.57745 13.5108 6.27378 5.64761 4.63336 10.5136 numMergedOcc 0
34 mol 169 unq 5 iso 0 dist 7.57745 13.5108 6.27378 8.90181 6.10715 10.212 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.02362 12.5978 9.07744 13.6397 7.98956 9.21484 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 6.02362 12.5978 9.07744 11.0951 5.86185 10.3506 numMergedOcc 0
37 mol 277 unq 2 iso 0 dist 6.02362 12.5978 9.07744 3.61982 6.79748 10.4629 numMergedOcc 0
38 mol 277 unq 3 iso 0 dist 6.02362 11.1075 8.42892 13.6397 7.98956 7.73174 numMergedOcc 0
39 mol 277 unq 4 iso 0 dist 6.02362 11.1075 8.42892 11.0951 5.86185 5.42115 numMergedOcc 0
40 mol 277 unq 5 iso 0 dist 6.02362 11.1075 8.42892 3.61982 6.79748 12.6492 numMergedOcc 0
41 mol 277 unq 6 iso 0 dist 6.02362 4.94331 8.90967 13.6397 7.98956 16.883 numMergedOcc 0
42 mol 277 unq 7 iso 0 dist 6.02362 4.94331 8.90967 11.0951 5.86185 14.5363 numMergedOcc 0
43 mol 277 unq 8 iso 0 dist 6.02362 4.94331 8.90967 3.61982 6.79748 5.91105 numMergedOcc 0
44 mol 277 unq 9 iso 0 dist 3.99622 4.94331 6.40861 3.61982 6.53598 5.91105 numMergedOcc 0
45 mol 281 unq 0 iso 0 dist 6.16842 12.8438 9.39268 11.7281 7.90368 12.4082 numMergedOcc 0
46 mol 281 unq 1 iso 0 dist 6.16842 12.8438 9.39268 3.52633 6.69267 10.4439 numMergedOcc 0
47 mol 281 unq 2 iso 0 dist 6.16842 4.9048 9.06888 11.7281 7.90368 15.8562 numMergedOcc 0
48 mol 281 unq 3 iso 0 dist 6.16842 4.9048 9.06888 3.52633 6.69267 6.28551 numMergedOcc 0
49 mol 281 unq 4 iso 0 dist 4.16004 4.9048 6.62682 7.32876 5.33372 6.24691 numMergedOcc 0
50 mol 281 unq 5 iso 0 dist 4.16004 4.9048 6.62682 3.52633 6.56886 6.28551 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 6.00177 7.51003 5.44942 3.54301 6.24487 5.1451 numMergedOcc 0
52 mol 287 unq 1 iso 0 dist 6.00177 8.71812 8.53689 3.54301 6.24487 7.5241 numMergedOcc 0
53 mol 287 unq 2 iso 0 dist 6.00177 5.96452 7.82157 3.54301 6.24487 5.15725 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 6.00177 7.51003 5.44942 3.54301 6.24487 5.1451 numMergedOcc 0
55 mol 288 unq 1 iso 0 dist 6.00177 8.71812 8.53689 3.54301 6.24487 7.5241 numMergedOcc 0
56 mol 288 unq 2 iso 0 dist 6.00177 5.96452 7.82157 3.54301 6.24487 5.15725 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 6.00177 7.51003 5.44942 3.54301 6.24487 5.1451 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 6.00177 8.71812 8.53689 3.54301 6.24487 7.5241 numMergedOcc 0
59 mol 289 unq 2 iso 0 dist 6.00177 5.96452 7.82157 3.54301 6.24487 5.15725 numMergedOcc 0
