0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 6.73401 9.67081 8.21826 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 7.62357 9.02471 5.46849 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 18.5048 9.74445 16.9091 9.02471 5.46849 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 14.2688 7.86724 12.0126 5.42067 3.68007 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 7.77678 11.5698 5.25492 10.0513 9.10911 7.32685 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.34542 11.5209 8.42147 11.2375 9.06601 10.3018 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 6.34542 11.5209 8.42147 6.87591 5.98809 4.88926 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 11.5242 9.93438 13.1958 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 12.1473 4.42563 12.2092 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 14.1262 9.00072 17.3816 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 12.3914 4.72821 12.4011 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 13.7017 9.31158 14.8213 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.11505 5.03046 8.43584 13.9601 9.31158 14.8213 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 5.82039 10.3181 8.31638 12.4707 9.4629 3.57449 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 5.82039 8.09615 9.72979 12.4707 9.4629 13.6373 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 8.19655 6.85824 8.81074 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 9.73691 11.0017 4.58599 6.56215 9.09354 10.5963 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 9.73691 11.0017 4.58599 9.18934 4.66576 5.36904 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 9.73691 10.4464 8.78568 6.56215 9.09354 13.711 numMergedOcc 0
19 mol 213 unq 3 iso 0 dist 9.73691 10.4464 8.78568 9.18934 4.66576 4.84414 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 10.7268 4.43499 7.72768 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 8.82131 9.83622 10.9841 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.53324 7.09461 9.02914 9.7252 7.42932 11.5613 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 7.23956 7.09461 6.90434 9.7252 4.9764 11.5613 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 7.23956 7.09461 6.90434 10.5201 6.36559 13.0566 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 8.66941 16.013 9.02914 10.3675 7.42932 11.5613 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 9.82717 14.401 8.71213 13.5711 6.71946 3.97296 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 9.82717 14.401 8.71213 17.9142 8.28061 11.6681 numMergedOcc 0
28 mol 285 unq 2 iso 0 dist 9.82717 14.401 8.71213 13.8352 5.03601 10.6606 numMergedOcc 0
29 mol 285 unq 3 iso 0 dist 8.33653 8.64319 8.71213 7.76515 6.71946 3.97296 numMergedOcc 0
30 mol 285 unq 4 iso 0 dist 8.33653 8.64319 8.71213 5.12725 8.28061 11.6681 numMergedOcc 0
31 mol 285 unq 5 iso 0 dist 8.33653 8.64319 8.71213 7.52611 5.03601 10.6606 numMergedOcc 0
32 mol 285 unq 6 iso 0 dist 6.44657 14.1417 8.71213 11.6832 6.71946 3.97296 numMergedOcc 0
33 mol 285 unq 7 iso 0 dist 6.44657 14.1417 8.71213 6.73715 8.28061 11.6681 numMergedOcc 0
34 mol 285 unq 8 iso 0 dist 6.44657 14.1417 8.71213 5.32175 5.03601 10.6606 numMergedOcc 0
