0 mol 17 unq 0 iso 0 dist 8.58468 7.18716 11.7258 9.26114 7.34681 14.5034 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 9.76497 8.7443 3.36756 5.38502 8.6232 5.92388 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 6.81531 8.84944 11.9051 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.54999 9.72036 3.83842 10.5856 7.21995 8.81562 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.54999 9.3718 9.44478 6.81531 8.84944 10.0782 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.54999 9.3718 9.44478 10.5856 7.21995 15.9294 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.99735 6.77802 9.165 13.11 9.53081 11.8063 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 9.7516 9.48328 13.4515 4.99432 9.53081 5.43913 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.93939 6.16745 4.40015 16.0604 8.90896 10.3601 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 6.09318 9.06839 6.73079 7.90823 9.86325 14.984 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 7.89197 9.06641 8.63446 numMergedOcc 0
11 mol 96 unq 0 iso 0 dist 9.25941 7.22615 11.9221 6.04753 8.9056 8.79886 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 9.42064 9.75833 10.1277 9.45543 6.79959 15.3259 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 5.56645 6.40989 4.37072 9.91621 8.53914 11.4588 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 5.58346 6.98134 8.89777 8.38134 6.53824 13.31 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 7.09179 6.98134 12.5145 8.38134 6.61973 13.31 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 6.24768 7.65919 4.82514 5.88698 6.53824 9.12145 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 6.24768 8.55413 8.89777 5.88698 6.53824 13.31 numMergedOcc 0
18 mol 116 unq 4 iso 0 dist 9.31875 7.65919 8.63935 5.88698 6.61973 9.12145 numMergedOcc 0
19 mol 116 unq 5 iso 0 dist 9.31875 8.55413 12.5145 5.88698 6.61973 13.31 numMergedOcc 0
20 mol 124 unq 0 iso 0 dist 8.45451 8.06631 5.3096 12.0208 7.18976 8.50362 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 13.2228 5.79195 9.35049 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 8.61918 6.01995 4.63862 15.392 9.2759 10.3668 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 8.61918 6.01995 4.63862 15.6785 8.76088 13.1234 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 9.89646 8.94352 10.0388 12.352 5.32865 14.6837 numMergedOcc 0
25 mol 157 unq 0 iso 0 dist 6.97303 8.97914 5.07066 6.72897 6.8976 8.36016 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 9.50443 8.13391 7.72226 11.5092 7.6819 14.0752 numMergedOcc 0
27 mol 212 unq 1 iso 0 dist 9.50443 8.13391 7.72226 13.9428 6.36102 14.0758 numMergedOcc 0
28 mol 212 unq 2 iso 0 dist 9.50443 8.4285 4.18876 11.5092 7.6819 11.0536 numMergedOcc 0
29 mol 212 unq 3 iso 0 dist 9.50443 8.4285 4.18876 13.9428 6.36102 10.5287 numMergedOcc 0
30 mol 255 unq 0 iso 0 dist 5.53395 8.66655 10.1167 5.96376 9.40767 13.8557 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 6.77021 4.98907 5.05766 9.76099 7.53199 10.2898 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 6.77021 4.98907 5.05766 5.83092 8.58092 5.94328 numMergedOcc 0
33 mol 258 unq 2 iso 0 dist 6.77021 4.98907 5.05766 5.09024 7.40014 7.91978 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 8.65743 5.28746 4.39553 5.36882 9.62494 6.48382 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 8.95153 5.77565 4.66969 7.77559 9.34051 8.67957 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 8.95153 6.32853 5.69247 7.77559 9.34051 10.7454 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 7.90993 7.43535 12.4082 11.8486 6.58925 15.5913 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 8.19366 9.34464 4.93084 7.19125 4.75349 9.17527 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 5.25409 7.58948 3.33848 4.06072 6.37998 7.94656 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 5.25409 7.58948 3.33848 5.29391 9.77023 12.5467 numMergedOcc 0
