0 mol 11 unq 0 iso 0 dist 9.76233 4.54527 9.07476 11.8533 6.83186 9.46202 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.23167 8.02816 7.25138 3.89181 4.46067 6.13411 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 7.47607 5.07643 7.25138 5.72955 4.46067 6.13411 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.82511 3.95228 5.57551 3.97203 7.7485 7.27578 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.61831 5.94401 6.46582 5.5308 7.66068 9.68005 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.61831 5.94401 6.46582 10.5881 9.5043 14.6547 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 5.61831 5.94401 6.46582 9.74852 8.34132 14.1202 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.75749 7.81683 9.94528 8.85486 7.50925 5.31562 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 9.75749 7.81683 9.94528 5.2891 6.96722 9.24212 numMergedOcc 0
9 mol 83 unq 2 iso 0 dist 9.75749 11.1731 8.94777 8.85486 7.50925 8.56578 numMergedOcc 0
10 mol 83 unq 3 iso 0 dist 9.75749 11.1731 8.94777 5.2891 6.96722 12.1198 numMergedOcc 0
11 mol 83 unq 4 iso 0 dist 9.75749 7.95491 9.47551 8.85486 7.50925 7.14423 numMergedOcc 0
12 mol 83 unq 5 iso 0 dist 9.75749 7.95491 9.47551 5.2891 6.96722 3.76903 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.27028 16.1275 7.08403 16.2029 7.02358 3.77247 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 6.38269 12.0115 7.96893 10.3017 5.31126 3.74516 numMergedOcc 0
15 mol 113 unq 2 iso 0 dist 6.38269 12.0115 7.96893 10.3632 4.49669 7.32784 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 6.38269 12.0115 7.96893 9.86085 6.00221 8.46561 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 7.64841 9.0362 8.03124 5.37018 9.31385 6.03314 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 7.64841 9.0362 8.03124 5.79975 6.98791 4.74539 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.3206 13.9828 7.50458 9.93901 5.10589 4.24401 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.18165 9.58263 7.78577 6.5732 5.10589 3.69097 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 6.18165 9.58263 7.78577 4.14139 4.63336 7.14832 numMergedOcc 0
22 mol 169 unq 3 iso 0 dist 6.18165 9.58263 7.78577 7.73206 6.10715 8.01356 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.19926 11.641 9.14525 4.32488 7.25595 13.1776 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.19926 11.641 9.14525 12.1543 9.94825 4.10348 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.34927 9.49228 8.72101 9.69757 7.98956 14.313 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.34927 9.49228 8.72101 10.2113 5.86185 13.2017 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 7.34927 9.49228 8.72101 8.92993 6.79748 10.3346 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 7.34927 11.7966 5.11998 9.69757 7.98956 7.31817 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 7.34927 11.7966 5.11998 10.2113 5.86185 3.91224 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 7.34927 11.7966 5.11998 8.92993 6.79748 10.8296 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 7.54315 16.1206 8.72101 7.55695 7.98956 14.313 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 7.54315 16.1206 8.72101 6.26644 5.86185 13.2017 numMergedOcc 0
33 mol 277 unq 8 iso 0 dist 7.54315 16.1206 8.72101 10.4453 6.79748 10.3346 numMergedOcc 0
34 mol 277 unq 9 iso 0 dist 7.54315 7.00586 5.11998 7.55695 7.98956 7.31817 numMergedOcc 0
35 mol 277 unq 10 iso 0 dist 7.54315 7.00586 5.11998 6.26644 5.86185 3.91224 numMergedOcc 0
36 mol 277 unq 11 iso 0 dist 7.54315 7.00586 5.11998 10.4453 6.79748 10.8296 numMergedOcc 0
37 mol 277 unq 12 iso 0 dist 7.88615 10.5169 8.75619 10.6003 6.53598 10.3346 numMergedOcc 0
38 mol 277 unq 13 iso 0 dist 7.88615 12.8601 5.79925 10.6003 6.53598 10.8296 numMergedOcc 0
39 mol 277 unq 14 iso 0 dist 7.88615 8.85294 8.55906 10.6003 6.53598 8.55356 numMergedOcc 0
40 mol 277 unq 15 iso 0 dist 7.88615 4.2416 5.55523 10.6003 6.53598 10.7151 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 8.78416 6.85714 6.82918 16.2332 7.90368 13.5758 numMergedOcc 0
42 mol 281 unq 1 iso 0 dist 8.78416 6.85714 6.82918 10.564 6.69267 7.74065 numMergedOcc 0
43 mol 281 unq 2 iso 0 dist 9.22428 16.6962 9.13909 9.75261 5.33372 9.85344 numMergedOcc 0
44 mol 281 unq 3 iso 0 dist 9.22428 16.6962 9.13909 10.564 6.56886 9.11195 numMergedOcc 0
45 mol 281 unq 4 iso 0 dist 9.22428 6.85714 4.29351 9.75261 5.33372 3.50686 numMergedOcc 0
46 mol 281 unq 5 iso 0 dist 9.22428 6.85714 4.29351 10.564 6.56886 7.74065 numMergedOcc 0
47 mol 281 unq 6 iso 0 dist 7.82358 12.3603 6.82918 12.9503 7.90368 13.5758 numMergedOcc 0
48 mol 281 unq 7 iso 0 dist 7.82358 12.3603 6.82918 9.45924 6.69267 7.74065 numMergedOcc 0
49 mol 281 unq 8 iso 0 dist 7.95687 9.0331 9.13909 3.73592 5.33372 9.85344 numMergedOcc 0
50 mol 281 unq 9 iso 0 dist 7.95687 9.0331 9.13909 10.8606 6.56886 9.11195 numMergedOcc 0
51 mol 281 unq 10 iso 0 dist 7.95687 5.28494 4.29351 3.73592 5.33372 3.50686 numMergedOcc 0
52 mol 281 unq 11 iso 0 dist 7.95687 5.28494 4.29351 10.8606 6.56886 7.74065 numMergedOcc 0
53 mol 292 unq 0 iso 0 dist 4.97488 10.841 8.85506 4.34603 8.07775 12.2 numMergedOcc 0
54 mol 292 unq 1 iso 0 dist 8.80146 10.3918 8.85506 7.1411 8.07775 12.2 numMergedOcc 0
