0 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 12.8762 9.5997 8.47421 10.298 7.28672 8.04924 3.98483 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 9.03359 9.57198 13.0231 9.5997 8.47421 9.93613 7.28672 8.04924 3.98483 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 9.80755 9.11258 9.01612 10.2049 8.63333 14.311 13.9844 7.93481 6.89191 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.84625 9.80755 9.11258 4.88613 5.49591 8.89374 14.311 13.9844 7.93481 11.0355 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.84625 9.80755 9.11258 10.3132 5.85698 6.46761 14.311 13.9844 7.93481 11.3547 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 5.84625 9.80755 9.11258 16.5848 12.2123 9.73139 14.311 13.9844 7.93481 11.9834 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 7.26263 3.94075 8.48471 9.99155 8.1988 8.96501 5.23115 5.74282 4.79413 4.79817 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.18898 10.4617 5.39745 11.8917 9.50382 5.81965 16.8733 12.1199 9.28578 5.7134 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.18898 10.4617 5.39745 16.1657 11.3858 7.06013 16.8733 12.1199 9.28578 4.24513 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.18898 10.4617 5.39745 9.79361 7.56363 9.70512 16.8733 12.1199 9.28578 10.7874 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 13.0299 13.7032 6.73814 14.2539 11.4429 8.11094 5.6074 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.66022 5.46352 5.60389 4.98864 5.22052 6.99777 11.2871 9.18958 9.9928 7.3094 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.4733 6.02826 7.26955 7.91337 5.92984 7.39889 12.0395 7.34151 9.05798 4.91594 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.4733 6.02826 7.26955 7.91337 5.92984 7.39889 10.1992 11.7884 5.85818 9.3046 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.4733 6.02826 7.26955 11.7745 15.5019 9.63176 12.0395 7.34151 9.05798 12.7179 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.4733 6.02826 7.26955 11.7745 15.5019 9.63176 10.1992 11.7884 5.85818 4.91132 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 8.4733 6.02826 7.26955 13.3911 10.314 7.44174 12.0395 7.34151 9.05798 9.15779 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 8.4733 6.02826 7.26955 13.3911 10.314 7.44174 10.1992 11.7884 5.85818 7.61939 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 5.86531 5.92062 7.92688 7.34386 4.35684 9.4062 8.6769 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 7.31633 6.2062 7.34698 10.8427 6.61891 7.92688 15.1711 11.668 9.4062 8.6769 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 14.1437 6.14414 7.93331 16.2888 9.77146 7.54706 6.65184 numMergedOcc 0
21 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 12.8143 5.27321 6.98095 16.2888 9.77146 7.54706 4.68119 numMergedOcc 0
22 mol 173 unq 2 iso 0 dist 9.38737 10.5012 8.41245 17.2257 10.8609 8.31897 16.2888 9.77146 7.54706 6.6407 numMergedOcc 0
23 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 14.0294 4.72839 7.93331 17.5341 9.43677 7.54706 6.65184 numMergedOcc 0
24 mol 173 unq 4 iso 0 dist 9.51638 12.905 6.64779 17.3029 8.07089 6.98095 17.5341 9.43677 7.54706 4.68119 numMergedOcc 0
25 mol 173 unq 5 iso 0 dist 9.51638 12.905 6.64779 12.2385 5.70743 8.31897 17.5341 9.43677 7.54706 6.6407 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.95568 6.28043 6.32777 11.4517 5.77299 7.13543 15.4119 11.1881 9.52987 5.93488 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.07527 6.24616 5.97685 12.06 5.63555 7.98142 9.91705 6.12563 5.49808 9.92777 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.07527 12.5567 8.9289 12.06 5.63555 7.37327 9.91705 6.12563 7.96291 9.92777 numMergedOcc 0
29 mol 188 unq 0 iso 0 dist 9.37017 14.7966 9.33696 16.8862 10.5721 6.90541 11.8182 5.87427 7.48284 5.48276 numMergedOcc 0
