0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 15.2518 10.6042 9.59761 9.90845 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 17.2393 13.964 14.445 9.74445 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 17.2393 15.3221 14.445 9.74445 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.0878 6.54743 8.90863 9.54901 8.82095 5.63638 6.27749 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 14.516 12.1493 10.4589 9.85576 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.29975 5.78974 9.52634 6.53153 6.69554 9.91388 6.6767 11.0972 11.6637 9.48243 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.29673 5.78974 7.24514 6.53153 6.761 9.91388 6.6767 14.1743 11.6637 9.48243 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.94909 6.80087 8.00618 9.73536 7.79672 6.80239 7.75644 11.5405 7.96098 6.11955 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 17.3026 13.6844 13.9994 9.10619 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 6.00061 5.54906 8.67331 4.14546 12.7397 10.7816 9.74498 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 17.3026 13.6844 14.2552 9.10619 numMergedOcc 0
11 mol 152 unq 3 iso 0 dist 9.37459 4.82496 8.87437 6.00061 5.54906 8.05741 4.14546 12.7397 7.26476 9.74498 numMergedOcc 0
12 mol 152 unq 4 iso 0 dist 9.0847 8.41711 6.70283 6.00061 6.4896 8.67331 4.14546 13.0082 10.7816 9.74498 numMergedOcc 0
13 mol 152 unq 5 iso 0 dist 9.0847 4.82496 7.16148 6.00061 6.4896 8.05741 4.14546 13.0082 7.26476 9.74498 numMergedOcc 0
14 mol 152 unq 6 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 17.3026 15.1988 13.9994 9.10619 numMergedOcc 0
15 mol 152 unq 7 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 17.3026 15.1988 14.2552 9.10619 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 22.307 18.07 9.60754 7.44191 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 18.1133 16.1735 11.1879 6.00053 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 4.72179 9.34636 5.63485 9.79616 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 9.39969 12.8171 4.8786 9.29703 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 5.57 7.39839 4.91322 9.33771 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 5.57 7.39839 12.979 9.33771 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 3.90122 5.89084 4.74041 8.47009 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 3.90122 5.89084 6.16697 8.47009 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 4.98212 6.77279 5.71237 9.58006 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 4.98212 9.58006 5.71237 6.77279 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.2299 10.0727 8.02547 14.1717 17.6306 10.5691 9.62828 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 6.68878 4.31412 6.05727 10.2299 5.51688 8.02547 14.1717 13.3636 10.5691 9.62828 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 14.0039 5.51836 6.0664 16.5706 11.1402 4.95798 8.85762 numMergedOcc 0
