0 mol 32 unq 0 iso 0 dist 9.03144 4.4478 8.96415 7.65602 4.37718 7.12013 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.69443 5.43469 7.37357 14.2041 9.14875 9.35329 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 6.98121 7.25431 7.02558 10.8015 4.61198 7.78306 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.28585 6.91704 9.46251 9.56911 8.74347 8.39015 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 5.52402 9.40297 7.84262 17.1714 13.8402 9.24001 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 7.57593 9.40297 9.29208 17.1714 12.7621 9.24001 numMergedOcc 0
6 mol 108 unq 2 iso 0 dist 6.79804 5.53105 7.84262 14.0581 13.8402 9.24001 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.66832 14.084 9.0224 11.6716 5.07258 9.2046 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.11083 12.1102 9.0224 13.0316 5.07258 9.2046 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 6.70591 8.30695 7.24538 13.9123 9.44492 8.97683 numMergedOcc 0
10 mol 110 unq 1 iso 0 dist 5.43052 6.72551 7.24538 9.71431 9.44492 8.97683 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 5.28955 4.07356 8.09095 8.27253 4.92027 9.07096 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 9.44788 10.872 9.22776 13.149 5.94065 9.29439 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.60739 5.13979 8.9755 11.122 9.75787 9.74966 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 9.22427 5.13979 6.58752 11.122 7.53325 9.74966 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 6.71763 5.23046 9.06573 11.1553 9.78599 9.87914 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.32504 5.23046 6.62442 11.1553 7.68304 9.87914 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.86506 11.1179 9.59741 14.0419 10.7823 9.82833 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.71223 9.45075 8.43722 8.52322 4.83829 8.40343 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 9.66798 5.08998 9.12948 8.85976 3.81896 6.41916 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 7.03809 4.52473 5.80702 11.8182 7.29241 9.35766 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 9.02271 11.2757 6.75578 14.1822 6.00217 5.65496 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.45793 5.45575 9.29355 5.16838 9.33289 7.4294 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.45793 6.13878 6.13752 10.8231 6.30893 9.16791 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.86356 3.99717 9.68579 11.5544 11.3253 7.86768 numMergedOcc 0
25 mol 294 unq 1 iso 0 dist 6.42303 3.99717 8.60714 11.5544 13.7395 7.86768 numMergedOcc 0
