0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 9.42137 5.24778 9.23213 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 12.8762 9.5997 8.47421 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.26276 9.03359 9.57198 13.0231 9.5997 8.47421 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 14.3284 10.9183 9.53002 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 19.7162 14.3929 9.77484 numMergedOcc 0
5 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 16.4314 14.3929 9.77484 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.38047 8.98505 6.30987 5.97635 4.29856 5.02241 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 5.84625 10.3974 7.6481 15.1543 9.62267 8.81638 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 5.84625 9.80755 9.11258 9.01612 10.2049 8.63333 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 5.84625 9.80755 9.11258 4.88613 5.49591 8.89374 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 5.84625 9.80755 9.11258 10.3132 5.85698 6.46761 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 5.84625 9.80755 9.11258 16.5848 12.2123 9.73139 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.69638 4.07863 9.43355 9.59244 11.1914 6.23899 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 6.23138 6.84612 9.32552 8.99491 6.21578 8.68586 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 6.23138 6.84612 9.32552 13.8335 11.4485 9.54144 numMergedOcc 0
15 mol 74 unq 0 iso 0 dist 7.26263 3.94075 8.48471 9.99155 8.1988 8.96501 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.18898 10.4617 5.39745 11.8917 9.50382 5.81965 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 9.18898 10.4617 5.39745 16.1657 11.3858 7.06013 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 9.18898 10.4617 5.39745 9.79361 7.56363 9.70512 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 9.16592 7.62048 7.09065 10.9136 9.36726 9.39469 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 9.16592 7.62048 7.09065 10.9561 7.16919 4.76815 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 13.0299 13.7032 6.73814 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.66022 5.46352 5.60389 4.98864 5.22052 6.99777 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.4733 6.02826 7.26955 7.91337 5.92984 7.39889 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.4733 6.02826 7.26955 11.7745 15.5019 9.63176 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 8.4733 6.02826 7.26955 13.3911 10.314 7.44174 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 8.97111 4.56139 7.36017 8.32241 6.0268 7.75534 numMergedOcc 0
27 mol 126 unq 1 iso 0 dist 8.97111 4.56139 7.36017 11.9998 10.1326 9.06011 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 5.86531 5.92062 7.92688 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 7.31633 6.2062 7.34698 10.8427 6.61891 7.92688 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 5.49198 5.90631 6.93279 13.3013 14.2198 8.94837 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 5.49198 5.90631 6.93279 13.0519 11.147 7.77454 numMergedOcc 0
32 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 14.1437 6.14414 7.93331 numMergedOcc 0
33 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 12.8143 5.27321 6.98095 numMergedOcc 0
34 mol 173 unq 2 iso 0 dist 9.38737 10.5012 8.41245 17.2257 10.8609 8.31897 numMergedOcc 0
35 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 14.0294 4.72839 7.93331 numMergedOcc 0
36 mol 173 unq 4 iso 0 dist 9.51638 12.905 6.64779 17.3029 8.07089 6.98095 numMergedOcc 0
37 mol 173 unq 5 iso 0 dist 9.51638 12.905 6.64779 12.2385 5.70743 8.31897 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 5.66363 7.58472 5.95304 14.039 9.34211 9.6668 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 5.97968 4.24915 5.95304 12.9138 9.34211 9.6668 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 8.50382 4.20499 5.95304 12.2786 9.34211 9.6668 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 8.63119 5.70246 5.95304 11.7479 9.34211 9.6668 numMergedOcc 0
42 mol 181 unq 4 iso 0 dist 6.95568 6.28043 6.32777 11.4517 5.77299 7.13543 numMergedOcc 0
43 mol 181 unq 5 iso 0 dist 9.07527 6.24616 5.97685 12.06 5.63555 7.98142 numMergedOcc 0
44 mol 181 unq 6 iso 0 dist 9.07527 12.5567 8.9289 12.06 5.63555 7.37327 numMergedOcc 0
45 mol 188 unq 0 iso 0 dist 9.37017 14.7966 9.33696 16.8862 10.5721 6.90541 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 7.70279 6.2188 7.07392 numMergedOcc 0
47 mol 232 unq 1 iso 0 dist 9.41148 6.17401 7.10413 12.1893 6.09015 9.62952 numMergedOcc 0
48 mol 241 unq 0 iso 0 dist 9.28598 10.8036 8.00537 9.71885 4.90279 6.83797 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 9.69704 8.75798 9.58354 7.15815 5.78064 7.19465 numMergedOcc 0
50 mol 257 unq 0 iso 0 dist 9.34004 7.73649 8.60481 12.6087 6.74593 7.27505 numMergedOcc 0
51 mol 270 unq 0 iso 0 dist 8.55914 6.41275 7.89388 7.82003 5.43023 8.25349 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 6.55855 5.64601 9.19234 numMergedOcc 0
