0 mol 29 unq 0 iso 0 dist 5.36278 6.69806 8.53135 9.64034 5.97852 8.58191 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.50258 5.82508 8.53135 6.04161 5.97852 8.58191 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.04019 6.90464 8.0346 7.82815 3.85975 9.03138 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.2922 6.45611 7.88961 13.4657 5.08223 9.72232 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.7142 8.23824 5.37449 10.1328 5.34337 8.8326 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 6.22441 4.54351 7.35921 6.21094 6.42891 9.08749 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.30896 5.45089 5.26536 6.84952 6.40382 4.79891 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.61101 6.64929 7.26325 14.7895 9.14454 8.46972 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.88178 5.57607 6.00896 5.20195 7.45747 6.41759 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 11.3973 8.69327 8.0852 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 6.59407 8.59214 7.08934 11.9379 6.65154 8.83222 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.86075 8.07672 7.62505 10.4961 5.14649 9.85404 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 6.50586 3.73699 7.18098 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 4.81837 6.25023 7.25362 5.63283 4.7106 6.92823 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 6.43519 5.07259 8.27071 5.63283 10.4922 7.84418 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 7.03925 6.1168 5.07376 8.57781 4.67513 5.88041 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.26312 13.8702 7.10828 11.4569 7.26668 6.0567 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.58554 8.46058 7.10828 7.98794 7.26668 6.0567 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 7.58385 6.29331 8.25759 10.5687 6.97209 9.4157 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 6.0437 6.29331 6.99444 10.5687 4.64981 9.4157 numMergedOcc 0
20 mol 261 unq 2 iso 0 dist 4.85199 6.40309 6.99444 8.65572 4.64981 9.4157 numMergedOcc 0
21 mol 261 unq 3 iso 0 dist 9.13604 5.91745 6.99444 10.7138 4.64981 9.4157 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 10.7274 8.8839 8.28809 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 4.45141 5.846 6.38295 7.4869 4.06908 6.16546 numMergedOcc 0
