0 mol 29 unq 0 iso 0 dist 5.36278 9.64034 5.97852 6.69806 8.53135 8.58191 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 5.36278 8.26334 11.1943 6.69806 8.53135 13.4548 numMergedOcc 0
2 mol 29 unq 2 iso 0 dist 7.50258 6.04161 5.97852 5.82508 8.53135 8.58191 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.04019 7.82815 3.85975 6.90464 8.0346 9.03138 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.24055 8.21139 6.39865 12.3514 9.34552 14.4926 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.27009 6.44825 11.2455 6.22963 8.01856 12.4794 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 10.2556 9.26231 12.3818 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 8.90561 9.26231 12.3818 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 6.22441 6.21094 6.42891 4.54351 7.35921 9.08749 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 6.22441 8.44482 10.8407 4.54351 7.35921 12.0512 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 5.91543 6.21094 4.13495 6.17843 9.78949 11.9044 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 5.91543 8.44482 6.37184 6.17843 9.78949 13.4938 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.30896 6.84952 6.40382 5.45089 5.26536 4.79891 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.61101 9.71342 7.04681 6.64929 7.26325 11.3401 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.88178 5.20195 7.45747 15.6097 8.15734 14.5842 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.88178 5.20195 7.45747 5.57607 6.00896 6.41759 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.96635 9.53944 5.47558 17.5374 8.95432 13.7686 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 6.59407 6.51243 3.95884 8.59214 7.08934 10.4924 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 6.59407 6.51243 3.95884 7.46189 9.43135 10.8803 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 5.86839 6.50586 3.73699 6.38518 6.02053 7.18098 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 5.86839 6.50586 3.73699 7.86936 7.41663 10.1621 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 4.81837 5.63283 4.7106 6.25023 7.25362 6.92823 numMergedOcc 0
22 mol 205 unq 3 iso 0 dist 6.43519 5.63283 10.4922 5.07259 8.27071 7.84418 numMergedOcc 0
23 mol 223 unq 0 iso 0 dist 6.97426 7.5808 9.46802 4.68566 7.96628 12.164 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 8.87456 7.5808 13.1129 4.68566 7.76053 12.164 numMergedOcc 0
25 mol 223 unq 2 iso 0 dist 8.87456 7.5808 13.1129 11.1044 9.65728 17.959 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.03925 8.57781 4.67513 6.1168 5.07376 5.88041 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 7.58554 7.98794 7.26668 8.46058 7.10828 6.0567 numMergedOcc 0
28 mol 255 unq 0 iso 0 dist 7.57779 7.58813 8.06922 12.1115 7.16286 11.5041 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.10903 9.6327 8.78474 5.79358 8.73425 12.7887 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 7.25618 9.6327 11.3267 5.79358 9.65711 12.7887 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 5.78262 8.66133 5.53908 7.01631 7.84151 9.29783 numMergedOcc 0
32 mol 273 unq 1 iso 0 dist 5.78262 8.66133 5.53908 7.05181 7.346 12.1337 numMergedOcc 0
33 mol 273 unq 2 iso 0 dist 5.78262 6.95569 12.7125 7.01631 7.84151 11.3096 numMergedOcc 0
34 mol 273 unq 3 iso 0 dist 5.78262 6.95569 12.7125 7.05181 7.346 11.2194 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 4.45141 7.4869 4.06908 5.846 6.38295 6.16546 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 6.96774 7.19568 3.85958 7.43524 9.84741 11.3875 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 7.14859 7.19568 5.93557 14.0575 8.5458 14.0212 numMergedOcc 0
38 mol 287 unq 2 iso 0 dist 7.14859 7.19568 5.93557 10.6005 8.56533 12.9171 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 6.96774 7.19568 3.85958 7.43524 9.84741 11.3875 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 7.14859 7.19568 5.93557 14.0575 8.5458 14.0212 numMergedOcc 0
41 mol 288 unq 2 iso 0 dist 7.14859 7.19568 5.93557 10.6005 8.56533 12.9171 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 6.96774 7.19568 3.85958 7.43524 9.84741 11.3875 numMergedOcc 0
43 mol 289 unq 1 iso 0 dist 7.14859 7.19568 5.93557 14.0575 8.5458 14.0212 numMergedOcc 0
44 mol 289 unq 2 iso 0 dist 7.14859 7.19568 5.93557 10.6005 8.56533 12.9171 numMergedOcc 0
