0 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 14.7384 7.30207 8.63881 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.98417 10.7786 5.497 13.8212 6.30968 9.33901 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.18836 6.26099 6.73801 12.4464 4.65104 9.22814 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 6.07294 6.26099 6.42834 12.4464 14.2155 9.22814 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.23947 5.68492 9.32552 5.66803 8.95689 5.1488 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 8.90896 5.00474 6.96647 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 8.59105 5.5768 7.2268 7.57471 4.99645 9.53368 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 8.59105 5.5768 7.2268 14.4469 10.6701 9.64421 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 8.59105 5.5768 7.2268 11.9046 7.79329 6.72471 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 8.59105 4.56692 8.31175 7.57471 4.99645 6.54532 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 13.4969 11.1547 6.06039 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 4.86767 5.27861 6.13559 10.3016 9.72019 9.9778 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 4.86767 5.27861 6.13559 13.4969 11.1547 9.36502 numMergedOcc 0
13 mol 114 unq 3 iso 0 dist 4.86767 4.8628 6.51395 10.3016 9.72019 6.27701 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.03113 8.2258 7.35992 13.5882 6.2875 9.49798 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.03113 11.1305 6.49383 13.5882 6.2875 8.31955 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 9.2638 10.3223 7.35992 6.61973 6.2875 9.49798 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 9.2638 12.8624 6.49383 6.61973 6.2875 8.31955 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 8.6953 4.74651 9.21934 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 8.6953 9.03832 9.21934 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 8.65967 4.75241 9.13113 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 8.65967 9.0892 9.13113 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 14.8746 5.66096 9.71921 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 6.20426 9.12244 9.33696 8.1907 5.01686 6.02957 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 9.23676 5.64245 7.10526 6.20044 4.92804 6.35305 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 9.23676 5.64245 7.10526 8.41232 5.04697 9.23348 numMergedOcc 0
