0 mol 17 unq 0 iso 0 dist 8.48453 7.02884 4.03817 12.9838 9.78331 7.92012 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.0928 9.67946 4.3253 11.7801 8.87757 12.8551 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 9.5746 9.6782 7.48846 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 13.9555 7.21717 10.7227 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.52969 9.42188 9.11373 6.10173 7.21955 12.7852 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 8.24043 6.72639 5.94206 numMergedOcc 0
6 mol 65 unq 1 iso 0 dist 9.9997 9.68286 5.51708 11.819 9.34791 10.909 numMergedOcc 0
7 mol 65 unq 2 iso 0 dist 9.38611 8.58416 6.47381 4.91428 6.76508 5.94206 numMergedOcc 0
8 mol 65 unq 3 iso 0 dist 9.38611 8.58416 6.47381 7.66509 8.22785 10.909 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 3.98211 9.30539 8.66165 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 7.47827 7.74952 4.57085 6.76611 9.01176 12.1299 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 6.29383 7.38135 14.4785 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.26343 6.6157 9.75737 10.728 7.38135 14.4785 numMergedOcc 0
13 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 6.24872 7.73435 6.11502 numMergedOcc 0
14 mol 125 unq 1 iso 0 dist 8.38646 8.6317 9.20086 10.4668 9.3778 6.33431 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.75558 9.14007 9.43674 9.62363 9.97343 11.8798 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.7168 9.92375 11.2659 6.57631 9.99156 15.6733 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 9.7168 9.92375 11.2659 8.40891 8.18085 15.6971 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 4.75774 5.9176 7.22883 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.96824 5.6688 6.29863 9.91956 6.41453 11.8112 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 15.4597 8.90963 10.515 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 9.23913 6.73956 15.0354 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 7.8621 8.04856 9.81003 5.77163 7.09394 11.1375 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.76622 8.77999 6.60053 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.05666 7.35424 14.8459 5.76622 8.77999 9.36796 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 15.254 9.68728 10.2072 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 7.65133 9.1458 13.3683 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.29203 8.03226 10.3871 13.6806 7.57812 16.5283 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.29203 8.03226 10.3871 16.2617 8.69104 19.0708 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.80166 8.03226 14.388 13.6806 9.24557 16.5283 numMergedOcc 0
