0 mol 58 unq 0 iso 0 dist 7.84983 5.04521 9.22598 11.799 9.95364 9.01564 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.56737 5.04521 8.96727 11.799 5.49591 9.01564 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 9.56737 10.2341 8.01308 11.799 5.49591 7.11065 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 5.83937 12.0661 7.57295 14.9632 9.49968 6.63448 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.82095 7.32774 7.57295 9.34193 9.49968 6.63448 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.27749 7.32774 7.48086 9.34193 5.32257 6.63448 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.21115 7.53568 9.89083 12.7174 10.0688 7.56755 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.49205 8.22696 8.95212 10.0649 5.13589 8.67537 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.53368 6.14609 9.77575 5.58734 6.36778 6.18678 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.42766 16.57 7.64052 19.4571 12.0175 8.67537 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.29026 4.79473 5.51197 9.70268 4.92472 6.34626 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.42756 10.189 8.07097 13.1575 10.1386 5.92302 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.42756 10.189 8.07097 12.4715 7.42649 5.29898 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.43406 5.71744 5.05973 6.66608 5.48529 5.99437 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.66381 6.01218 7.2793 12.3583 10.5063 6.88127 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.39425 5.11711 9.58404 9.4707 4.82315 8.24649 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.75313 3.56689 8.08349 6.48885 10.7174 5.05368 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 6.08709 11.4272 8.08349 15.2008 10.7174 5.05368 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 9.79616 12.65 8.79428 16.5719 7.38836 9.25617 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 9.79616 12.65 8.79428 19.9345 12.4832 9.05276 numMergedOcc 0
20 mol 224 unq 4 iso 0 dist 9.29703 9.56183 6.8692 16.4681 10.6079 9.25617 numMergedOcc 0
21 mol 224 unq 5 iso 0 dist 9.29703 9.56183 6.8692 18.2412 11.5752 9.05276 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.2346 5.39025 5.1823 13.0195 6.46722 8.97952 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.00877 15.2854 9.30212 14.0223 9.5468 7.77765 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 6.00877 5.9397 6.4611 14.0223 9.5468 9.65868 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 6.00877 5.9397 6.4611 9.67276 6.70925 8.60027 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 8.66451 16.784 9.30212 14.0902 9.5468 7.77765 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 8.66451 4.89003 6.4611 14.0902 9.5468 9.65868 numMergedOcc 0
28 mol 274 unq 5 iso 0 dist 8.66451 4.89003 6.4611 9.02661 6.70925 8.60027 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.02914 13.3706 5.46926 5.92532 4.37645 9.26157 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.90434 13.3706 8.9682 5.92532 7.70529 9.26157 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 9.98528 19.5312 9.57499 13.4835 6.28695 9.26157 numMergedOcc 0
