0 mol 28 unq 0 iso 0 dist 6.53312 9.04621 9.1051 7.88348 12.3556 7.43758 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.9948 8.44081 9.1051 8.72422 12.3556 7.43758 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.65462 5.73722 8.35818 5.78755 13.2267 7.65602 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 5.5705 6.85013 5.48221 11.2319 14.073 9.77734 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.20409 9.06073 11.0602 12.3312 16.1055 8.35366 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.20409 9.06073 11.0602 12.9794 15.0548 8.69829 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 5.93729 9.06073 6.3575 12.3312 12.9442 8.35366 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 5.93729 9.06073 6.3575 12.9794 12.5723 8.69829 numMergedOcc 0
8 mol 44 unq 4 iso 0 dist 9.7328 9.06073 3.97557 12.3312 12.322 8.35366 numMergedOcc 0
9 mol 44 unq 5 iso 0 dist 9.7328 9.06073 3.97557 12.9794 12.3315 8.69829 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.99618 7.41265 5.58856 4.76152 12.5999 9.66589 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.87066 8.91629 10.1507 11.2112 12.2899 7.46875 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.4822 6.82371 7.05228 4.38796 10.5019 8.03015 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.7195 8.63202 12.1824 11.452 14.4931 9.75562 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 9.43988 8.63202 7.47696 11.452 14.3333 9.75562 numMergedOcc 0
15 mol 171 unq 2 iso 0 dist 8.30819 4.46397 12.1824 8.85582 14.4931 9.75562 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 9.13402 7.11542 7.28833 4.80648 12.7198 9.19555 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.72676 7.10956 9.95786 4.21724 12.9424 8.54588 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.02212 9.41747 10.161 7.85772 7.95713 9.9224 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.35349 9.52641 4.95466 9.31157 11.4337 8.85976 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 6.02401 6.07688 6.05671 6.9685 11.6099 9.00921 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.38051 8.85233 5.43452 4.49811 7.7557 7.40069 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 6.38051 7.06322 8.10713 10.841 14.109 9.2899 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 9.09416 8.81018 5.39342 4.10727 8.89372 6.33332 numMergedOcc 0
