0 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 13.2619 6.54183 10.1356 5.97635 5.65405 5.59773 8.10861 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 4.56886 5.90776 6.82886 15.5748 11.1785 9.514 12.4557 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.03472 8.39416 4.85152 4.56886 5.90776 6.82886 12.2317 10.9352 7.84888 10.2618 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.40274 10.4946 4.85152 5.1219 5.90776 6.82886 17.5033 11.1785 9.514 12.4557 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.40274 10.4946 4.85152 5.1219 5.90776 6.82886 14.8214 10.9352 7.84888 10.2618 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 4.60144 8.81172 6.29427 11.3462 5.34484 7.70533 9.84395 numMergedOcc 0
6 mol 227 unq 0 iso 0 dist 8.18597 7.03513 7.99145 5.92777 7.71761 11.4528 8.7511 5.841 9.17826 7.55216 numMergedOcc 0
7 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 8.898 5.62804 7.07028 11.8177 6.33989 8.43766 6.7547 numMergedOcc 0
8 mol 230 unq 1 iso 0 dist 8.95575 4.35944 5.00735 12.5509 9.3619 11.491 11.8177 6.33989 8.43766 11.5044 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 9.87224 7.04644 4.21935 9.86326 6.83046 5.29737 13.2218 4.77446 6.37342 6.16342 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 6.41167 3.95075 6.59521 7.52881 8.21585 9.22664 5.73834 5.13233 8.58088 6.42289 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 7.03782 5.66978 5.59151 4.4049 5.82876 7.96313 9.09967 7.60191 7.79904 10.3851 numMergedOcc 0
12 mol 274 unq 1 iso 0 dist 7.03782 5.66978 5.59151 4.4049 5.82876 7.96313 8.49076 13.8866 9.02749 12.8531 numMergedOcc 0
13 mol 274 unq 2 iso 0 dist 7.03782 5.66978 5.59151 10.4747 8.71129 13.1879 9.09967 7.60191 7.79904 13.6107 numMergedOcc 0
14 mol 274 unq 3 iso 0 dist 7.03782 5.66978 5.59151 10.4747 8.71129 13.1879 8.49076 13.8866 9.02749 18.9617 numMergedOcc 0
15 mol 274 unq 4 iso 0 dist 7.03782 10.88 8.17922 4.4049 5.82876 7.97998 12.0329 10.374 7.80446 11.9707 numMergedOcc 0
16 mol 274 unq 5 iso 0 dist 7.03782 10.88 8.17922 4.4049 5.82876 7.97998 9.09967 7.60191 9.86142 10.3851 numMergedOcc 0
17 mol 274 unq 6 iso 0 dist 7.03782 10.88 8.17922 10.4747 8.71129 5.7745 12.0329 10.374 7.80446 13.0885 numMergedOcc 0
18 mol 274 unq 7 iso 0 dist 7.03782 10.88 8.17922 10.4747 8.71129 5.7745 9.09967 7.60191 9.86142 13.6107 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.91992 4.54209 9.42812 10.8591 7.07459 13.8339 11.9961 10.7202 8.57532 16.7427 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 7.91992 4.54209 9.42812 10.8591 7.07459 13.8339 13.4262 17.0927 9.02914 21.6043 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 7.91992 4.54209 9.42812 10.8591 7.07459 13.8339 9.91594 16.2915 6.90434 20.2357 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 4.26671 11.2544 9.9227 10.0206 8.80588 4.95798 9.02427 5.80223 8.85762 6.0664 numMergedOcc 0
