0 mol 44 unq 0 iso 0 dist 7.85573 10.1746 9.53901 6.03997 7.49423 4.14243 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 9.23503 9.53901 6.54853 7.49423 4.14243 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55031 11.9729 8.16059 6.54685 5.2568 5.83277 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.87177 12.5066 9.94312 15.6688 6.8173 12.3047 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.70925 4.71695 9.94312 8.22845 6.8173 12.3047 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.78545 14.5223 6.95094 13.1304 8.14547 6.35914 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.97998 11.7502 6.95094 7.76917 8.14547 6.35914 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.95756 7.02797 9.94312 6.96897 6.8173 12.3047 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 8.95808 5.86285 7.78306 4.4399 7.88522 6.97401 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 8.48766 11.8236 7.78306 12.2267 7.88522 6.97401 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.4046 7.17073 6.41105 3.48087 9.27633 6.65892 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.4046 7.17073 6.41105 10.8263 7.59715 4.55647 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.28585 10.156 8.6308 7.8463 5.28331 4.28396 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 13.7708 9.22123 7.81379 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.93688 13.3114 4.85152 14.5838 7.36335 4.65469 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 9.88184 13.3931 4.85152 11.0283 9.22123 7.81379 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 9.88184 13.3931 4.85152 16.6198 7.36335 4.65469 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 5.5199 5.2394 5.51185 9.54415 8.91685 4.80201 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 10.0473 9.61193 11.0943 numMergedOcc 0
19 mol 102 unq 1 iso 0 dist 8.07962 4.9259 7.73836 10.0473 9.61193 11.9665 numMergedOcc 0
20 mol 102 unq 2 iso 0 dist 7.58908 4.51114 9.61113 7.08749 9.61193 11.0943 numMergedOcc 0
21 mol 102 unq 3 iso 0 dist 7.58908 9.29865 7.73836 7.08749 9.61193 11.9665 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.89412 10.3282 7.8034 5.78374 6.94015 5.0614 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.95914 3.80626 8.51265 15.8449 9.80185 16.1482 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 5.82034 6.97601 4.95086 10.5092 8.62135 5.14383 numMergedOcc 0
25 mol 147 unq 1 iso 0 dist 5.82034 4.59451 8.39524 10.5092 8.62135 14.0428 numMergedOcc 0
26 mol 147 unq 2 iso 0 dist 6.56854 5.23184 4.95086 9.7319 8.62135 5.14383 numMergedOcc 0
27 mol 147 unq 3 iso 0 dist 6.56854 4.8897 8.39524 9.7319 8.62135 14.0428 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.13872 7.56512 8.03259 3.55808 6.19329 8.21964 numMergedOcc 0
29 mol 183 unq 0 iso 0 dist 9.92635 15.7519 9.81282 5.27311 8.58178 13.7825 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 9.92635 15.7519 9.81282 6.58331 4.77438 9.83347 numMergedOcc 0
31 mol 183 unq 2 iso 0 dist 9.92635 15.7519 9.81282 12.5326 5.73344 5.14341 numMergedOcc 0
32 mol 183 unq 3 iso 0 dist 7.85507 15.2905 9.81282 3.84394 8.58178 13.7825 numMergedOcc 0
33 mol 183 unq 4 iso 0 dist 7.85507 15.2905 9.81282 5.46887 4.77438 9.83347 numMergedOcc 0
34 mol 183 unq 5 iso 0 dist 7.85507 15.2905 9.81282 11.1336 5.73344 5.14341 numMergedOcc 0
35 mol 185 unq 0 iso 0 dist 5.40655 8.51 6.11382 3.82689 4.91046 4.96002 numMergedOcc 0
36 mol 199 unq 0 iso 0 dist 7.16849 4.98653 7.29716 3.78464 9.2815 6.58405 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 9.32657 14.0402 8.21112 15.4907 9.88692 6.20494 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 9.32657 14.0402 8.21112 11.6653 9.38368 13.2338 numMergedOcc 0
39 mol 205 unq 2 iso 0 dist 9.32657 11.0093 7.06533 15.4907 9.88692 5.10421 numMergedOcc 0
40 mol 205 unq 3 iso 0 dist 9.32657 11.0093 7.06533 11.6653 9.38368 9.56612 numMergedOcc 0
41 mol 205 unq 4 iso 0 dist 9.32657 7.30488 5.94835 15.4907 9.88692 14.6973 numMergedOcc 0
42 mol 205 unq 5 iso 0 dist 9.32657 7.30488 5.94835 11.6653 9.38368 13.8741 numMergedOcc 0
43 mol 205 unq 6 iso 0 dist 6.21409 7.30488 6.76947 11.6653 9.29298 13.8741 numMergedOcc 0
44 mol 211 unq 0 iso 0 dist 7.38723 9.3095 9.45365 3.56019 8.13147 11.3775 numMergedOcc 0
45 mol 211 unq 1 iso 0 dist 7.38723 5.45968 7.15386 3.56019 8.13147 6.72244 numMergedOcc 0
46 mol 211 unq 2 iso 0 dist 7.38723 9.04294 7.73993 3.56019 8.13147 8.28079 numMergedOcc 0
47 mol 213 unq 0 iso 0 dist 5.01229 4.41052 8.84278 5.63478 6.81437 9.28886 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 7.97113 9.69102 9.2772 9.58753 8.75224 5.5217 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 8.38479 4.76806 9.2772 6.78897 8.75224 5.5217 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 6.98812 7.40176 8.19772 13.0312 6.80043 11.5884 numMergedOcc 0
