0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 9.49401 6.46501 6.34041 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 9.49401 5.25379 6.34041 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.83056 8.88982 6.09254 9.49401 9.14866 6.34041 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.67926 8.13365 10.0637 8.12171 11.3676 6.66749 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 9.69775 9.8294 17.9599 8.41903 8.69972 12.9702 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 9.01202 9.8294 15.1668 8.41903 5.89561 12.9702 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 9.3341 13.8239 11.5992 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 9.77304 6.91417 4.70362 5.45873 11.5684 9.13283 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 9.77304 6.91417 4.70362 6.97995 15.1247 10.8161 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 9.79676 7.94863 11.8666 8.19294 5.14963 7.11959 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 9.68996 18.7407 17.3514 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.4588 8.84116 9.45235 7.77211 10.7455 11.7409 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.4588 8.16369 10.591 7.77211 10.7455 14.8119 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.51568 4.97115 9.47778 6.23981 11.0332 4.54749 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 6.51568 4.97115 9.47778 5.92441 5.61269 7.12828 numMergedOcc 0
15 mol 196 unq 2 iso 0 dist 6.51568 9.45804 9.64101 6.23981 11.0332 14.6849 numMergedOcc 0
16 mol 196 unq 3 iso 0 dist 6.51568 9.45804 9.64101 5.92441 5.61269 5.00944 numMergedOcc 0
17 mol 196 unq 4 iso 0 dist 6.51568 9.8486 9.16184 6.23981 11.0332 16.0758 numMergedOcc 0
18 mol 196 unq 5 iso 0 dist 6.51568 9.8486 9.16184 5.92441 5.61269 8.61977 numMergedOcc 0
19 mol 196 unq 6 iso 0 dist 6.51568 7.23126 12.5715 6.23981 11.0332 10.645 numMergedOcc 0
20 mol 196 unq 7 iso 0 dist 6.51568 7.23126 12.5715 5.92441 5.61269 11.2081 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.5831 4.91961 6.16697 9.33455 16.0222 10.0059 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 9.5831 7.14333 16.1011 9.33455 16.0222 5.08515 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.02845 5.99137 9.92965 7.87572 5.87054 13.1168 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.35599 5.99137 13.9306 7.87572 8.11867 13.1168 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.86905 6.51823 7.22173 6.62283 11.9863 10.4017 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.86905 6.51823 7.22173 8.60978 13.0383 7.95232 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 5.62744 6.92721 5.29737 9.26512 13.0625 11.169 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 5.62744 6.92721 5.29737 9.2495 5.51771 9.59042 numMergedOcc 0
29 mol 239 unq 2 iso 0 dist 5.62744 6.92721 5.29737 5.82804 4.88461 5.88931 numMergedOcc 0
30 mol 239 unq 3 iso 0 dist 7.76984 6.92721 11.4465 9.26512 15.1473 11.169 numMergedOcc 0
31 mol 239 unq 4 iso 0 dist 7.76984 6.92721 11.4465 9.2495 10.2355 9.59042 numMergedOcc 0
32 mol 239 unq 5 iso 0 dist 7.76984 6.92721 11.4465 5.82804 6.62656 5.88931 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 7.02416 9.65332 13.8873 9.74549 7.44229 10.159 numMergedOcc 0
34 mol 278 unq 1 iso 0 dist 7.02416 9.65332 13.8873 8.91606 14.4299 9.96924 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 5.72197 7.34596 4.58403 9.88071 10.8394 8.2662 numMergedOcc 0
36 mol 282 unq 1 iso 0 dist 5.72197 7.12228 5.04235 9.88071 10.8394 6.6348 numMergedOcc 0
