0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 5.13744 6.36911 6.06176 9.96415 6.88805 5.99459 8.81608 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 8.91397 9.75144 5.39241 8.14598 5.69214 7.95042 11.8884 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 10.8478 5.59906 7.7068 10.7558 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 8.71166 9.2603 6.95868 15.8947 12.1193 7.80898 12.9048 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.97477 6.99777 10.8292 14.1895 6.07067 6.39384 12.9982 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 6.58038 9.14376 6.12943 14.1895 6.07067 6.39384 10.7985 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 14.5979 11.835 7.69765 16.7897 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 14.1895 6.07067 9.42082 12.9982 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 14.5979 11.835 7.69765 12.0921 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 14.1895 6.07067 9.42082 10.7985 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 9.87733 9.80862 9.35964 10.7143 4.39676 8.95212 9.56225 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 6.85677 4.99061 6.18601 11.7378 8.43904 10.3457 10.7143 4.39676 8.95212 6.13374 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.05626 7.09664 8.70949 5.53247 6.89257 8.84655 9.67398 4.97996 6.93139 10.1252 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 9.05626 7.09664 8.70949 8.63186 8.74308 6.76754 9.67398 4.97996 6.93139 10.5067 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 16.1624 10.8635 9.33094 11.7151 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 19.6139 15.0225 9.1998 14.0978 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 16.1624 10.8635 8.69531 11.7151 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 16.1624 12.3479 9.33094 11.7151 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 17.7213 10.6474 6.64173 10.9785 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 8.39573 5.93724 9.01624 10.1634 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 11.1521 5.12833 9.55105 10.9567 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.69148 9.97859 7.21333 8.62626 6.82208 12.2813 13.422 6.84862 5.56538 11.8745 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 8.69148 9.97859 7.21333 8.62626 6.82208 12.2813 15.096 9.53117 7.48954 12.9858 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 9.20195 8.19953 10.7113 5.36326 5.13732 8.08349 5.73591 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 8.82094 4.78295 8.48753 10.6582 7.67853 6.64985 5.38409 5.12237 6.44147 8.84523 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 9.80332 8.26567 8.48753 5.96784 7.67853 6.64985 8.45524 5.12237 6.44147 8.84523 numMergedOcc 0
