0 mol 7 unq 0 iso 0 dist 8.19144 5.77391 7.31201 11.9671 10.789 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.84459 10.3415 7.31201 16.4849 10.789 7.10621 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.10253 16.9524 9.16962 18.0965 11.887 8.34347 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 7.62709 8.60899 9.20119 12.2143 6.89191 7.58835 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.41365 5.65405 5.02241 14.4402 6.91765 9.5589 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.41365 5.65405 5.02241 10.5929 5.06052 6.83299 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 8.41365 5.65405 5.02241 6.54183 10.1332 8.10861 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 7.37607 10.6897 6.71911 13.4842 7.29033 6.85766 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.37607 10.6897 6.71911 10.4837 5.33688 7.71095 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 9.76145 10.1412 7.92394 13.783 6.65811 9.65964 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.49283 9.14798 5.15851 16.1633 10.0425 7.79912 numMergedOcc 0
11 mol 75 unq 1 iso 0 dist 7.49283 9.14798 5.15851 17.6145 11.8774 8.56639 numMergedOcc 0
12 mol 75 unq 2 iso 0 dist 7.49283 9.14798 5.15851 15.3522 10.0372 8.59017 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.58062 11.1785 5.81965 11.1915 6.99832 7.4729 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.58062 10.8489 9.70512 11.1915 6.99832 6.82344 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.87582 7.12329 6.99777 12.5786 10.8292 6.11741 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 6.87582 7.12329 6.99777 9.93482 11.7126 7.88312 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 8.77794 5.19652 6.99777 8.97043 10.8292 6.11741 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 8.77794 5.19652 6.99777 12.9647 11.7126 7.88312 numMergedOcc 0
19 mol 115 unq 4 iso 0 dist 9.68866 11.6346 6.50039 14.3016 5.60178 4.99221 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.16039 9.86628 6.89257 13.6645 8.84655 8.70949 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 9.40225 5.66289 6.27641 9.19499 7.29758 7.44554 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 9.40225 5.66289 6.27641 7.11647 8.67156 8.94056 numMergedOcc 0
23 mol 156 unq 2 iso 0 dist 9.40225 5.66289 6.27641 13.581 4.53931 9.83699 numMergedOcc 0
24 mol 156 unq 3 iso 0 dist 7.49255 5.69897 6.27641 12.0499 7.29758 7.44554 numMergedOcc 0
25 mol 156 unq 4 iso 0 dist 7.49255 5.69897 6.27641 11.6098 8.67156 8.94056 numMergedOcc 0
26 mol 156 unq 5 iso 0 dist 7.49255 5.69897 6.27641 11.7321 4.53931 9.83699 numMergedOcc 0
27 mol 156 unq 6 iso 0 dist 4.94012 4.68187 6.27641 10.0213 7.29758 7.44554 numMergedOcc 0
28 mol 156 unq 7 iso 0 dist 4.94012 4.68187 6.27641 11.8093 8.67156 8.94056 numMergedOcc 0
29 mol 156 unq 8 iso 0 dist 4.94012 4.68187 6.27641 7.98018 4.53931 9.83699 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 9.15536 10.5343 9.31887 17.5589 11.0415 9.0018 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 9.15536 10.5343 9.31887 11.5905 5.0384 7.652 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.88787 10.2898 9.6668 14.2552 8.25067 9.15386 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 9.30874 5.114 6.94688 8.90247 6.25083 9.1374 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.30874 5.114 6.94688 10.3907 5.86342 5.98885 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 9.30874 5.114 6.94688 13.7299 6.80228 9.15386 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 5.54873 5.114 6.71012 8.90247 4.77278 9.1374 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 5.54873 5.114 6.71012 10.3907 9.14057 5.98885 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 5.54873 5.114 6.71012 13.7299 11.6919 9.15386 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 9.7281 7.07865 7.37327 9.79901 11.1462 7.81386 numMergedOcc 0
40 mol 181 unq 8 iso 0 dist 9.7281 7.07865 7.37327 13.7928 13.3389 7.63312 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 5.37579 5.43761 5.90931 9.55393 5.09262 7.10633 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 5.37579 5.43761 5.90931 13.9155 12.9483 8.51516 numMergedOcc 0
43 mol 205 unq 0 iso 0 dist 7.70781 10.6362 9.19704 12.9169 8.66809 6.03031 numMergedOcc 0
44 mol 205 unq 1 iso 0 dist 7.70781 10.6362 9.19704 6.15806 6.23291 7.26832 numMergedOcc 0
45 mol 205 unq 2 iso 0 dist 7.70781 10.6362 9.19704 17.5925 13.231 7.80463 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 5.77917 7.05305 7.46831 11.3827 6.67959 8.85478 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 8.57161 9.20027 6.99002 17.1012 15.9568 9.23153 numMergedOcc 0
48 mol 220 unq 1 iso 0 dist 8.57161 9.20027 6.99002 13.6374 11.1321 8.24498 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 9.97425 11.8217 7.06793 7.07564 9.36098 8.95269 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 8.39753 11.9904 7.06793 10.9817 9.36098 8.95269 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 5.72415 6.53984 6.91569 12.6391 10.9761 6.57393 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 8.5166 9.78463 7.39747 13.742 6.26168 7.00034 numMergedOcc 0
53 mol 253 unq 0 iso 0 dist 6.52138 7.07333 7.19465 10.7144 7.92528 9.02271 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 7.88151 13.3233 6.77938 12.4498 4.99891 5.30224 numMergedOcc 0
55 mol 294 unq 0 iso 0 dist 9.17225 5.57044 9.03492 5.18789 6.17102 8.15665 numMergedOcc 0
