0 mol 58 unq 0 iso 0 dist 9.81637 10.5083 9.64665 6.69301 9.22598 8.59939 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 12.1059 6.77912 12.6194 7.12321 9.88768 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 5.48831 5.94737 7.321 10.6185 9.55118 6.74416 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 5.48831 5.94737 7.321 4.89334 9.10345 5.63793 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.32783 5.2745 8.96501 4.4368 7.93281 5.38404 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.85873 5.95725 8.75946 10.8883 5.51831 8.44919 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.26438 10.7144 5.87358 7.53887 7.07971 5.15674 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.43255 9.77909 5.87358 7.83378 7.07971 5.15674 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.4389 8.77144 5.87358 10.405 7.07971 5.15674 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.84656 13.386 5.42582 14.2595 9.33924 6.0991 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.84656 13.386 5.42582 15.9796 7.93372 5.67107 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.94541 5.24231 8.94837 8.17498 9.00918 5.58312 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.94541 5.24231 8.94837 10.9758 7.99477 9.61537 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 7.30919 9.87127 8.94837 6.67639 9.00918 5.58312 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 7.30919 9.87127 8.94837 4.4987 7.99477 9.61537 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 8.86346 9.01957 7.15475 13.5413 7.81207 5.26247 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 8.86346 9.01957 7.15475 10.4327 7.18002 12.2806 numMergedOcc 0
17 mol 142 unq 2 iso 0 dist 4.93681 6.17441 7.15475 9.85239 7.81207 5.26247 numMergedOcc 0
18 mol 142 unq 3 iso 0 dist 4.93681 6.17441 7.15475 8.64092 7.18002 12.2806 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.04723 11.7065 8.96511 12.8554 9.11204 5.87125 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 9.79816 5.5349 8.53199 15.4347 7.33709 11.6662 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.23956 12.9898 9.41725 8.60807 9.35539 7.07508 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 7.23956 12.9898 9.41725 10.3171 8.9682 18.3854 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 7.23956 12.9898 9.41725 10.6814 6.92711 16.1088 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 7.43241 4.89439 4.86729 11.847 5.83329 7.67245 numMergedOcc 0
