0 mol 30 unq 0 iso 0 dist 8.3224 10.8609 5.22979 11.948 6.56408 5.22453 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.3224 10.8609 5.22979 8.87499 5.38977 7.27643 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 8.3224 10.8609 5.22979 12.1395 4.07658 5.73475 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 8.3224 10.8609 5.22979 11.0895 4.87092 7.90081 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.49235 12.8733 9.19977 15.0512 8.09258 8.29506 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.49235 12.8733 9.19977 18.6673 13.069 7.24843 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 7.49235 11.3276 7.28831 15.0512 8.09258 6.58492 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.49235 11.3276 7.28831 18.6673 13.069 7.63783 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 8.52784 7.18009 6.8891 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.09403 11.5379 7.58375 17.5111 10.5797 9.13228 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 5.06367 6.94323 8.15661 5.03276 4.0847 6.77983 numMergedOcc 0
11 mol 229 unq 0 iso 0 dist 9.90415 6.7597 9.37336 9.98938 5.41869 8.72409 numMergedOcc 0
12 mol 229 unq 1 iso 0 dist 5.96615 5.3298 9.37336 6.75338 5.41869 8.72409 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.73257 11.3445 7.77911 10.4468 4.84686 9.33455 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 7.95045 10.6643 8.09509 18.1261 12.3685 8.35637 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 6.19564 8.565 9.31888 16.1693 14.1341 8.75324 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 7.88009 9.39798 9.26157 17.5753 15.23 9.7625 numMergedOcc 0
