0 mol 2 unq 0 iso 0 dist 9.74371 13.588 7.68766 9.97525 6.35342 4.67907 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.67498 6.89544 7.22054 15.0231 9.85726 14.9736 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 13.2452 7.22054 17.302 9.85726 14.9736 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.90117 13.2452 8.62699 6.96396 7.21217 14.3668 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.25984 4.22382 5.51659 6.92677 9.81698 7.79998 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.8986 12.4741 7.03264 9.48441 6.6003 6.43864 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 7.8986 12.4741 7.03264 4.76091 6.44118 10.7211 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 7.24183 8.05994 7.03264 6.41829 6.6003 6.43864 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 7.24183 8.05994 7.03264 6.13923 6.44118 10.7211 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.35633 17.3887 9.80586 16.255 9.59261 4.04716 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.35633 17.3887 9.80586 9.75148 6.67936 13.0429 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.35633 17.3887 9.80586 15.2099 8.25817 13.699 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.18835 3.79204 9.74582 10.5162 8.91606 8.48768 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.25133 11.2933 9.55276 4.57807 7.11388 8.91034 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 7.25133 11.2933 9.55276 13.2652 8.83131 6.14226 numMergedOcc 0
15 mol 126 unq 2 iso 0 dist 9.33622 10.659 9.55276 10.1683 7.11388 8.91034 numMergedOcc 0
16 mol 126 unq 3 iso 0 dist 9.33622 10.659 9.55276 5.27125 8.83131 6.14226 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.96689 8.17831 6.00667 11.9436 9.48243 6.55423 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.6582 11.5137 6.00667 16.3678 9.48243 6.55423 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 6.4737 10.8322 6.21275 7.20811 9.74498 12.692 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 8.64349 10.5951 9.73305 5.10218 9.78437 7.60008 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.03184 4.40729 5.25888 5.52686 9.57611 5.34813 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.03184 4.40729 5.25888 5.73338 5.08206 4.51101 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 8.94671 9.4786 8.63031 4.85077 7.86625 8.27268 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 7.65323 9.10202 8.75124 6.68626 9.99185 4.47174 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 7.65323 9.10202 8.75124 7.20088 8.31638 4.1887 numMergedOcc 0
26 mol 206 unq 2 iso 0 dist 8.63033 10.2573 9.24348 12.1408 9.72979 11.9391 numMergedOcc 0
27 mol 206 unq 3 iso 0 dist 8.63033 10.2573 9.24348 9.19627 6.97859 4.88904 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 6.24111 12.1185 8.14122 13.3929 9.67457 9.53948 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 9.00343 13.3105 8.14122 12.3088 9.67457 9.53948 numMergedOcc 0
30 mol 210 unq 2 iso 0 dist 6.41444 7.35484 8.14122 13.3774 9.67457 9.53948 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.86207 6.68491 8.40945 10.6943 9.8711 6.29733 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.86207 8.20682 7.81237 10.6943 9.8711 13.3213 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 7.47122 12.0975 8.65729 15.4433 9.75313 6.57808 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 5.97988 11.8916 9.9137 6.70321 6.08709 6.57808 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 6.6537 3.74681 8.65729 4.55824 9.75313 6.57808 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 9.08719 3.74681 9.9137 4.55824 6.08709 6.57808 numMergedOcc 0
37 mol 230 unq 0 iso 0 dist 6.23346 5.70986 8.59955 9.6645 9.54235 13.5892 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 9.3807 10.0609 8.73584 12.5843 8.91685 12.0171 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 9.45077 6.15417 6.66413 8.63445 7.93997 6.82055 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 4.55368 6.49658 6.66413 6.18571 7.93997 6.82055 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.07452 9.62798 7.32898 6.11218 7.80446 4.54436 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 9.07452 9.62798 7.32898 11.3921 9.86142 4.84546 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 7.21004 5.58669 9.32156 6.11218 9.91395 9.53794 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 6.12202 6.75848 9.70022 5.7574 7.79904 4.84546 numMergedOcc 0
45 mol 274 unq 4 iso 0 dist 6.12202 6.75848 9.70022 7.23876 9.02749 13.2618 numMergedOcc 0
46 mol 274 unq 5 iso 0 dist 6.44266 8.2168 7.32898 6.98398 7.80446 4.54436 numMergedOcc 0
47 mol 274 unq 6 iso 0 dist 6.44266 8.2168 7.32898 6.99898 9.86142 4.84546 numMergedOcc 0
48 mol 274 unq 7 iso 0 dist 8.75703 14.0477 9.32156 6.98398 9.91395 9.53794 numMergedOcc 0
