0 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 11.074 7.05413 7.01363 5.40367 6.35756 6.47744 9.58673 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.65344 10.4897 6.71911 10.6421 5.3525 6.5096 13.1729 7.71095 5.33688 8.24062 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 9.44713 9.39191 8.68821 10.573 4.77056 7.36816 5.74067 10.1937 9.2907 8.71128 numMergedOcc 0
3 mol 114 unq 1 iso 0 dist 9.44713 9.39191 8.68821 10.573 4.77056 7.36816 4.1386 7.35754 5.33327 7.52743 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.42513 10.2034 9.81878 16.2351 14.085 6.3244 17.0795 17.6472 8.00931 6.192 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 9.42513 10.2034 9.81878 16.2351 14.085 6.3244 15.5134 15.0647 6.85862 7.69308 numMergedOcc 0
6 mol 127 unq 2 iso 0 dist 9.42513 10.2034 9.81878 16.2351 14.085 6.3244 8.60326 9.30299 4.77464 8.59981 numMergedOcc 0
7 mol 127 unq 3 iso 0 dist 9.42513 10.2034 9.81878 16.2351 14.085 6.3244 12.7837 14.7391 7.11695 7.66331 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.7973 5.10076 7.16254 9.16944 4.9093 6.51096 5.01118 6.23493 6.3845 9.17284 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 6.7973 5.10076 7.16254 9.16944 4.9093 6.51096 10.1253 12.1555 5.48883 9.87281 numMergedOcc 0
10 mol 155 unq 2 iso 0 dist 6.7973 5.10076 7.16254 9.16944 4.9093 6.51096 9.88413 11.6934 5.77564 8.87452 numMergedOcc 0
11 mol 155 unq 3 iso 0 dist 6.7973 5.10076 7.16254 13.3067 10.7896 8.73171 10.1253 12.1555 5.48883 8.27111 numMergedOcc 0
12 mol 155 unq 4 iso 0 dist 6.7973 5.10076 7.16254 13.3067 10.7896 8.73171 9.88413 11.6934 5.77564 7.68368 numMergedOcc 0
13 mol 155 unq 5 iso 0 dist 6.7973 9.64056 9.86313 16.1194 13.5062 7.37901 13.1651 13.5605 5.40375 7.39644 numMergedOcc 0
14 mol 155 unq 6 iso 0 dist 6.7973 9.64056 9.86313 16.1194 13.5062 7.37901 12.5957 10.2463 6.34186 7.36102 numMergedOcc 0
15 mol 155 unq 7 iso 0 dist 4.44292 4.40049 7.39644 7.62575 5.40375 7.37901 14.7279 13.5605 13.5062 9.86313 numMergedOcc 0
16 mol 155 unq 8 iso 0 dist 4.44292 4.40049 7.39644 7.62575 5.40375 7.37901 10.4606 10.7829 8.27726 7.51198 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 7.88794 4.23514 6.68292 12.1351 11.1063 8.74171 13.5226 16.7686 11.1059 8.45368 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 7.88794 4.23514 6.68292 12.1351 11.1063 8.74171 12.6498 12.9274 12.2579 9.59129 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.5119 11.711 7.17547 17.2779 10.2673 6.75035 16.8077 10.9501 7.47048 8.53199 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 7.73315 12.9902 8.53199 12.023 7.47048 6.75035 10.2817 10.9501 10.2673 7.17547 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 7.73315 12.9902 8.53199 12.023 7.47048 6.75035 15.5665 12.8943 6.60235 7.13323 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.39002 7.90095 6.87664 14.5909 9.36098 8.89778 9.98893 8.95269 7.98696 7.06793 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 8.39002 7.90095 6.87664 11.3096 5.29877 9.47554 9.98893 8.95269 7.98696 6.67585 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 8.39002 7.90095 6.87664 11.3096 5.29877 9.47554 5.72088 6.57273 7.12232 6.65984 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.86368 16.9465 9.5707 10.0197 5.56749 8.49841 16.1672 10.3625 5.9221 6.16063 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 7.46434 4.21173 6.16063 10.1461 5.9221 8.49841 6.50055 10.3625 5.56749 9.5707 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 7.50424 13.0543 6.16063 10.6033 5.9221 8.49841 17.5418 10.3625 5.56749 9.5707 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 8.48065 5.52698 8.21247 10.648 10.6981 7.27958 11.7809 11.3258 6.43692 5.65339 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.55855 5.95459 9.19234 8.62431 14.168 8.49866 4.56913 10.7806 5.31116 6.50589 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 9.65265 6.93865 6.50589 10.1897 5.31116 8.49866 18.6665 10.7806 14.168 9.19234 numMergedOcc 0
