0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.36226 8.53529 7.18019 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.62879 8.96553 8.4069 4.36226 7.18019 8.53529 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 4.64838 6.41575 6.41423 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.51865 8.4674 5.80928 4.64838 6.41423 6.41575 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 9.74255 8.40416 7.75618 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 9.74255 7.75618 8.40416 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 4.97119 6.41575 6.41423 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 4.97119 6.41423 6.41575 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.51865 6.864 7.67038 7.08342 8.40416 7.75618 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 6.864 4.51865 7.67038 7.08342 7.75618 8.40416 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 5.59311 8.70827 9.12854 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 7.36323 5.54419 12.3067 5.59311 9.12854 8.70827 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 5.78774 9.92355 5.93884 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 6.62496 6.86465 5.30792 5.78774 5.93884 9.92355 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 5.78774 9.92355 7.68678 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 5.78774 7.68678 9.92355 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.62496 6.35756 4.81926 5.78774 5.93884 7.68678 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 6.35756 6.62496 4.81926 5.78774 7.68678 5.93884 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.66905 5.73196 10.1164 4.65335 7.54568 9.39864 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 5.73196 7.66905 10.1164 4.65335 9.39864 7.54568 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 5.80144 7.01812 8.30845 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 5.80144 8.30845 7.01812 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.35224 6.56369 5.88134 10.0456 7.01812 8.30845 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 6.56369 9.35224 5.88134 10.0456 8.30845 7.01812 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.11551 7.11972 6.5838 6.77806 6.92026 5.88249 numMergedOcc 0
31 mol 115 unq 0 iso 1 dist 7.11972 5.11551 6.5838 6.77806 5.88249 6.92026 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 6.90986 5.39945 5.67807 5.31484 5.88249 6.97707 numMergedOcc 0
33 mol 115 unq 1 iso 1 dist 5.39945 6.90986 5.67807 5.31484 6.97707 5.88249 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 9.91388 9.52634 6.69554 4.34568 9.97654 6.66772 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 9.52634 9.91388 6.69554 4.34568 6.66772 9.97654 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 9.91388 7.24514 6.761 4.34568 9.97654 7.71248 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 7.24514 9.91388 6.761 4.34568 7.71248 9.97654 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 9.52634 7.24514 7.6656 4.34568 6.66772 7.71248 numMergedOcc 0
39 mol 133 unq 1 iso 1 dist 7.24514 9.52634 7.6656 4.34568 7.71248 6.66772 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 6.29155 6.80239 7.81217 4.54648 6.16242 5.87634 numMergedOcc 0
41 mol 133 unq 2 iso 1 dist 6.80239 6.29155 7.81217 4.54648 5.87634 6.16242 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.41674 5.83771 7.80532 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 6.54501 9.89303 5.79898 7.41674 7.80532 5.83771 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 numMergedOcc 0
49 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 5.4555 9.44367 7.90267 numMergedOcc 0
51 mol 156 unq 0 iso 1 dist 8.94056 7.44554 5.56175 5.4555 7.90267 9.44367 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 7.20191 9.39829 6.41453 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 7.20191 6.41453 9.39829 numMergedOcc 0
56 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 6.45859 6.16414 7.75885 numMergedOcc 0
57 mol 206 unq 0 iso 1 dist 9.774 7.7366 5.63422 6.45859 7.75885 6.16414 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 6.35849 7.43071 6.02296 numMergedOcc 0
59 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 6.35849 6.02296 7.43071 numMergedOcc 0
60 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 6.37275 6.98875 6.54852 numMergedOcc 0
61 mol 231 unq 0 iso 1 dist 8.40182 7.37839 4.06055 6.37275 6.54852 6.98875 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 8.81835 7.98231 7.08526 numMergedOcc 0
63 mol 259 unq 0 iso 1 dist 7.46176 7.88519 6.96053 8.81835 7.08526 7.98231 numMergedOcc 0
