0 mol 0 unq 0 iso 0 dist 8.31596 6.3267 8.8123 7.92928 4.62412 5.96303 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 6.3267 8.31596 8.8123 7.92928 5.96303 4.62412 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 8.31596 6.3267 8.8123 7.48645 12.5081 4.04089 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 6.3267 8.31596 8.8123 7.48645 4.04089 12.5081 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.29529 7.2199 5.80437 8.04924 7.98363 10.4204 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 7.2199 9.29529 5.80437 8.04924 10.4204 7.98363 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 7.2199 6.9513 6.27573 9.82483 6.81435 12.6271 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 6.9513 7.2199 6.27573 9.82483 12.6271 6.81435 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 7.2199 9.16116 11.1737 9.82483 6.81435 17.0455 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 9.16116 7.2199 11.1737 9.82483 17.0455 6.81435 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 7.2199 8.47109 10.9842 9.82483 6.81435 10.0146 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 8.47109 7.2199 10.9842 9.82483 10.0146 6.81435 numMergedOcc 0
12 mol 9 unq 2 iso 0 dist 6.9513 9.16116 5.63132 9.82483 12.6271 17.0455 numMergedOcc 0
13 mol 9 unq 2 iso 1 dist 9.16116 6.9513 5.63132 9.82483 17.0455 12.6271 numMergedOcc 0
14 mol 9 unq 3 iso 0 dist 6.9513 8.47109 12.6338 9.82483 12.6271 10.0146 numMergedOcc 0
15 mol 9 unq 3 iso 1 dist 8.47109 6.9513 12.6338 9.82483 10.0146 12.6271 numMergedOcc 0
16 mol 9 unq 3 iso 0 dist 9.16116 8.47109 16.406 9.82483 17.0455 10.0146 numMergedOcc 0
17 mol 9 unq 3 iso 1 dist 8.47109 9.16116 16.406 9.82483 10.0146 17.0455 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 6.96494 7.01363 6.49184 7.93481 5.60902 6.11542 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 7.01363 6.96494 6.49184 7.93481 6.11542 5.60902 numMergedOcc 0
20 mol 94 unq 0 iso 0 dist 7.38914 7.0529 5.31202 9.13207 15.7837 13.286 numMergedOcc 0
21 mol 94 unq 0 iso 1 dist 7.0529 7.38914 5.31202 9.13207 13.286 15.7837 numMergedOcc 0
22 mol 94 unq 1 iso 0 dist 7.38914 7.0529 5.31202 5.18655 5.64735 6.93872 numMergedOcc 0
23 mol 94 unq 1 iso 1 dist 7.0529 7.38914 5.31202 5.18655 6.93872 5.64735 numMergedOcc 0
24 mol 105 unq 0 iso 0 dist 6.52726 9.12363 10.882 8.76002 7.47184 8.22974 numMergedOcc 0
25 mol 105 unq 0 iso 1 dist 9.12363 6.52726 10.882 8.76002 8.22974 7.47184 numMergedOcc 0
26 mol 105 unq 1 iso 0 dist 6.52726 6.50017 11.3312 8.76002 7.47184 9.76939 numMergedOcc 0
27 mol 105 unq 1 iso 1 dist 6.50017 6.52726 11.3312 8.76002 9.76939 7.47184 numMergedOcc 0
28 mol 105 unq 1 iso 0 dist 9.12363 6.50017 5.27191 8.76002 8.22974 9.76939 numMergedOcc 0
29 mol 105 unq 1 iso 1 dist 6.50017 9.12363 5.27191 8.76002 9.76939 8.22974 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 9.86739 8.39249 7.68699 8.11094 7.70536 4.69847 numMergedOcc 0
31 mol 114 unq 0 iso 1 dist 8.39249 9.86739 7.68699 8.11094 4.69847 7.70536 numMergedOcc 0
32 mol 114 unq 1 iso 0 dist 9.86739 8.93623 11.9022 8.11094 7.70536 5.83121 numMergedOcc 0
33 mol 114 unq 1 iso 1 dist 8.93623 9.86739 11.9022 8.11094 5.83121 7.70536 numMergedOcc 0
34 mol 114 unq 2 iso 0 dist 9.86739 9.49413 12.0339 8.06525 8.36453 6.18257 numMergedOcc 0
35 mol 114 unq 2 iso 1 dist 9.49413 9.86739 12.0339 8.06525 6.18257 8.36453 numMergedOcc 0
36 mol 114 unq 1 iso 0 dist 8.39249 8.93623 10.0883 8.11094 4.69847 5.83121 numMergedOcc 0
37 mol 114 unq 1 iso 1 dist 8.93623 8.39249 10.0883 8.11094 5.83121 4.69847 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 9.94276 9.05357 7.38238 9.4062 5.21856 10.0359 numMergedOcc 0
39 mol 133 unq 0 iso 1 dist 9.05357 9.94276 7.38238 9.4062 10.0359 5.21856 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 9.94276 5.99299 7.08159 9.4062 5.21856 9.07371 numMergedOcc 0
41 mol 133 unq 1 iso 1 dist 5.99299 9.94276 7.08159 9.4062 9.07371 5.21856 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.05357 5.99299 9.00907 9.4062 10.0359 9.07371 numMergedOcc 0
43 mol 133 unq 1 iso 1 dist 5.99299 9.05357 9.00907 9.4062 9.07371 10.0359 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 8.57853 6.75035 8.16398 9.67381 7.02365 5.31559 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 6.75035 8.57853 8.16398 9.67381 5.31559 7.02365 numMergedOcc 0
46 mol 218 unq 1 iso 0 dist 8.57853 6.75035 8.16398 6.61099 5.84583 8.21424 numMergedOcc 0
47 mol 218 unq 1 iso 1 dist 6.75035 8.57853 8.16398 6.61099 8.21424 5.84583 numMergedOcc 0
48 mol 225 unq 0 iso 0 dist 8.75834 7.51827 14.0478 5.13453 7.15437 7.13893 numMergedOcc 0
49 mol 225 unq 0 iso 1 dist 7.51827 8.75834 14.0478 5.13453 7.13893 7.15437 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 8.75834 7.51827 14.0478 7.95883 15.2958 10.4901 numMergedOcc 0
51 mol 225 unq 1 iso 1 dist 7.51827 8.75834 14.0478 7.95883 10.4901 15.2958 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 6.152 7.95168 8.55671 7.89801 5.23507 5.92529 numMergedOcc 0
53 mol 227 unq 0 iso 1 dist 7.95168 6.152 8.55671 7.89801 5.92529 5.23507 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 9.6101 5.32183 9.35875 9.06084 9.66782 5.3976 numMergedOcc 0
55 mol 234 unq 0 iso 1 dist 5.32183 9.6101 9.35875 9.06084 5.3976 9.66782 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 9.1101 8.93338 8.07376 6.01071 8.16841 6.03041 numMergedOcc 0
57 mol 243 unq 0 iso 1 dist 8.93338 9.1101 8.07376 6.01071 6.03041 8.16841 numMergedOcc 0
58 mol 250 unq 0 iso 0 dist 8.16469 9.88279 6.59053 9.03319 7.62569 13.3093 numMergedOcc 0
59 mol 250 unq 0 iso 1 dist 9.88279 8.16469 6.59053 9.03319 13.3093 7.62569 numMergedOcc 0
60 mol 270 unq 0 iso 0 dist 6.79822 9.17227 7.61559 6.31869 5.30053 8.58393 numMergedOcc 0
61 mol 270 unq 0 iso 1 dist 9.17227 6.79822 7.61559 6.31869 8.58393 5.30053 numMergedOcc 0
