0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 9.61029 10.9837 8.44506 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.68029 5.63384 7.40415 11.7209 8.4285 7.28416 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.44166 12.2072 7.40415 14.101 8.4285 7.28416 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.52676 9.32021 7.03307 7.16036 4.55437 7.52117 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 11.8625 10.0962 6.77886 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.25276 6.38454 6.66954 8.28737 4.3931 4.79949 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.7389 11.5471 9.75201 12.2281 6.45686 7.27693 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.43804 12.4403 8.43352 10.671 7.06961 7.26086 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.73172 12.468 9.77017 7.65229 5.39346 8.729 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.10479 8.3604 7.91683 15.2767 9.89358 7.77116 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.41086 6.69527 6.03352 13.618 8.2619 8.93905 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 7.41599 6.25626 6.03352 12.388 8.2619 8.93905 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.74658 6.53994 5.56627 6.38977 7.7567 8.86329 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.74658 6.53994 5.56627 9.69757 8.23791 8.71039 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 8.74658 13.4383 8.50562 15.2412 9.60968 9.15431 numMergedOcc 0
18 mol 131 unq 3 iso 0 dist 8.74658 13.4383 8.50562 9.69757 8.23791 6.92648 numMergedOcc 0
19 mol 131 unq 4 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 4.93035 7.42649 6.69515 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 9.14007 5.74529 6.94988 9.75558 9.43674 7.86572 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 9.90113 9.62474 8.21989 13.2827 9.0783 8.00506 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 5.6688 6.09526 7.11785 11.3822 12.9468 7.20392 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 10.5412 10.5063 9.83476 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.89293 5.26093 7.02575 10.5412 14.4429 9.83476 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.21588 10.2224 5.91727 7.92766 5.86489 6.85441 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 9.47112 15.0925 9.17946 21.2951 13.0658 8.44861 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 9.47112 15.0925 9.17946 20.4933 14.4523 5.60393 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.37652 7.45292 8.88664 14.2695 8.92719 9.2581 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 8.37652 7.45292 8.88664 15.8305 15.4372 9.62632 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 8.37652 7.45292 8.88664 10.8642 12.1951 7.862 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 8.85568 5.98086 7.95359 6.18486 6.67321 5.87815 numMergedOcc 0
35 mol 253 unq 0 iso 0 dist 7.06589 5.37783 8.15091 5.76077 5.78064 7.77998 numMergedOcc 0
36 mol 253 unq 1 iso 0 dist 8.70383 14.5125 8.15091 7.0247 5.78064 7.77998 numMergedOcc 0
