0 mol 11 unq 0 iso 0 dist 5.8689 5.56531 4.13124 4.48789 8.3846 5.67087 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.91904 6.18007 5.86761 4.5008 10.2284 9.84521 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.87317 6.35997 7.58092 9.4837 8.82122 9.56614 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.69419 8.83919 11.1621 6.07757 10.5363 8.50375 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.46118 9.48328 9.12054 4.65586 9.18584 7.03832 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.21723 6.29267 8.33013 9.878 14.9674 7.90338 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.38367 5.53271 10.0002 4.10604 11.1924 7.75479 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 5.05141 5.53271 4.88926 4.10604 4.9128 7.75479 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.7267 8.42277 8.17376 8.8704 13.6145 8.86956 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.97262 5.86693 6.97119 4.41049 11.288 6.40751 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 8.96469 5.91643 4.17025 4.89642 12.4355 9.92657 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 7.26891 8.50487 4.8443 6.17464 8.583 5.97134 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.86905 9.31268 4.51854 9.28896 9.75691 8.71877 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.90449 5.79883 7.07666 7.2107 11.3833 6.16848 numMergedOcc 0
14 mol 294 unq 0 iso 0 dist 7.71392 8.81999 12.2834 4.83248 12.5401 9.33755 numMergedOcc 0
15 mol 294 unq 1 iso 0 dist 7.71392 4.83062 9.89492 4.83248 12.5401 6.25334 numMergedOcc 0
16 mol 294 unq 2 iso 0 dist 6.6112 8.65363 9.89492 9.56783 12.5401 6.25334 numMergedOcc 0
17 mol 294 unq 3 iso 0 dist 5.02677 8.81999 5.33113 4.83248 7.82457 9.33755 numMergedOcc 0
18 mol 294 unq 4 iso 0 dist 5.02677 4.83062 9.32362 4.83248 7.82457 6.25334 numMergedOcc 0
19 mol 294 unq 5 iso 0 dist 8.34193 8.65363 9.32362 9.56783 7.82457 6.25334 numMergedOcc 0
20 mol 294 unq 6 iso 0 dist 7.6859 8.81999 15.8342 4.83248 9.70794 9.33755 numMergedOcc 0
21 mol 294 unq 7 iso 0 dist 7.6859 4.83062 4.45227 4.83248 9.70794 6.25334 numMergedOcc 0
22 mol 294 unq 8 iso 0 dist 8.35722 8.65363 4.45227 9.56783 9.70794 6.25334 numMergedOcc 0
