0 mol 26 unq 0 iso 0 dist 8.62527 8.99751 10.4631 4.21886 8.65828 12.7677 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 9.44507 12.1978 4.21886 8.65828 13.0038 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.76869 9.50444 7.78646 3.98752 8.32948 13.223 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 5.76869 9.50444 7.78646 7.08886 7.43338 14.7306 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 14.1632 6.29755 10.1502 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.34361 4.38047 5.01159 15.4599 7.4038 12.3954 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.49861 6.23138 6.11938 4.69203 5.45684 5.94373 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 7.49861 6.23138 6.11938 5.59746 7.66372 9.97062 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 6.2165 6.23138 4.43442 4.69203 7.76644 5.94373 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 6.2165 6.23138 4.43442 5.59746 9.99743 9.97062 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.88704 5.91009 5.97632 10.1307 8.49115 12.7889 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 6.26491 6.85867 6.60008 5.26236 9.40061 10.8042 numMergedOcc 0
12 mol 88 unq 1 iso 0 dist 5.4421 9.73165 6.14352 4.73269 8.10769 13.7192 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 15.2873 9.20236 17.0668 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.87592 6.66022 5.16645 4.64507 9.47253 9.78806 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.66828 9.86988 5.85167 7.7205 7.26325 11.1555 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.32658 8.88796 17.359 11.9416 7.08934 19.2049 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 9.32658 8.88796 17.359 10.5412 8.87346 18.1 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 4.93595 9.51638 9.16343 5.64974 8.44321 8.14167 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 9.26812 9.54753 7.93391 18.158 9.68557 16.4822 numMergedOcc 0
20 mol 180 unq 1 iso 0 dist 9.26812 8.79411 10.1364 18.158 9.68557 19.3712 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 8.19381 5.79898 11.4169 8.49995 6.2667 10.2667 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.41167 8.63176 9.76914 5.66907 8.73425 13.3737 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 6.41167 8.63176 9.76914 9.6053 9.65711 15.2741 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.75335 6.38341 5.63899 3.92089 7.84151 9.16554 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 5.75335 6.38341 5.63899 9.51983 7.85797 9.65597 numMergedOcc 0
26 mol 273 unq 2 iso 0 dist 5.75335 9.78826 7.46111 3.92089 7.84151 8.83491 numMergedOcc 0
27 mol 273 unq 3 iso 0 dist 5.75335 9.78826 7.46111 9.51983 7.85797 15.3163 numMergedOcc 0
28 mol 273 unq 4 iso 0 dist 8.76527 6.38341 11.3048 3.92089 7.346 9.16554 numMergedOcc 0
29 mol 273 unq 5 iso 0 dist 8.76527 9.78826 5.60451 3.92089 7.346 8.83491 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.86767 6.60049 6.28133 10.3798 9.60309 9.5144 numMergedOcc 0
