0 mol 26 unq 0 iso 0 dist 5.29367 8.35279 8.85591 10.2286 5.88467 9.25649 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.29367 9.19323 9.67576 10.2286 5.88467 9.36104 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.6783 13.653 8.19484 13.16 5.14132 5.52067 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.98624 5.41578 7.03812 14.1108 9.60832 9.17518 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 7.98624 5.41578 7.03812 11.0167 5.27237 8.21833 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.52947 11.8293 8.42713 14.7314 12.5605 7.85041 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.84466 3.74136 8.42713 5.77804 12.5605 7.85041 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 9.2948 3.74136 8.21032 5.77804 10.878 7.85041 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 8.54297 5.34549 9.85832 8.04178 10.7037 9.89462 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 9.35162 5.34549 7.49024 8.04178 8.80709 9.89462 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.87505 14.0139 7.39532 11.327 6.53156 6.42785 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 8.87505 4.91324 6.62468 11.327 6.53156 6.82089 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 8.87505 4.91324 6.62468 9.02079 4.72188 5.38314 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 5.70772 5.78019 6.4752 7.9061 4.10092 5.1101 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 5.70772 5.78019 6.4752 4.48898 4.47436 7.01133 numMergedOcc 0
15 mol 147 unq 2 iso 0 dist 5.03663 4.52246 6.4752 6.36426 4.10092 5.1101 numMergedOcc 0
16 mol 147 unq 3 iso 0 dist 5.03663 4.52246 6.4752 7.06711 4.47436 7.01133 numMergedOcc 0
17 mol 147 unq 4 iso 0 dist 8.93916 5.88056 6.4752 7.6489 4.10092 5.1101 numMergedOcc 0
18 mol 147 unq 5 iso 0 dist 8.93916 5.88056 6.4752 11.6758 4.47436 7.01133 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.04205 6.02267 9.90625 10.0112 8.34466 7.13269 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.94464 5.80934 9.91705 8.22583 6.24616 5.49808 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.94464 5.80934 9.91705 12.8564 12.5567 7.96291 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 8.92685 5.27973 7.92476 6.62037 5.56759 5.49808 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 8.92685 5.27973 7.92476 6.21461 4.43465 7.96291 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 6.55866 10.3057 8.05859 16.449 12.734 6.31869 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.49794 4.81143 5.63154 10.7792 7.73611 8.23056 numMergedOcc 0
