0 mol 25 unq 0 iso 0 dist 6.34277 5.3503 9.40763 4.68147 7.05196 9.41688 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.40763 5.3503 6.34277 9.41688 7.05196 4.68147 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.17291 9.5551 8.81569 8.27493 9.13322 12.0737 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 8.81569 9.5551 5.17291 12.0737 9.13322 8.27493 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.1421 8.54232 9.54663 5.75588 5.51197 11.0564 numMergedOcc 0
5 mol 129 unq 0 iso 1 dist 9.54663 8.54232 6.1421 11.0564 5.51197 5.75588 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 6.1421 8.54232 9.54663 4.18263 8.86944 7.22602 numMergedOcc 0
7 mol 129 unq 1 iso 1 dist 9.54663 8.54232 6.1421 7.22602 8.86944 4.18263 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 6.1421 8.54232 9.54663 3.82645 6.69691 5.71616 numMergedOcc 0
9 mol 129 unq 2 iso 1 dist 9.54663 8.54232 6.1421 5.71616 6.69691 3.82645 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.20985 4.50095 7.69466 5.74845 8.73533 5.60861 numMergedOcc 0
11 mol 186 unq 0 iso 1 dist 7.69466 4.50095 6.20985 5.60861 8.73533 5.74845 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.65951 7.99053 9.14829 4.51957 7.9133 9.9552 numMergedOcc 0
13 mol 204 unq 0 iso 1 dist 9.14829 7.99053 9.65951 9.9552 7.9133 4.51957 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 6.18991 4.6952 8.68547 4.10207 9.21377 7.03848 numMergedOcc 0
15 mol 206 unq 0 iso 1 dist 8.68547 4.6952 6.18991 7.03848 9.21377 4.10207 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.40961 4.07018 8.74174 4.61243 7.95042 5.82647 numMergedOcc 0
17 mol 241 unq 0 iso 1 dist 8.74174 4.07018 5.40961 5.82647 7.95042 4.61243 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 5.40961 7.37399 5.57621 4.61243 7.95042 6.31237 numMergedOcc 0
19 mol 241 unq 1 iso 1 dist 5.57621 7.37399 5.40961 6.31237 7.95042 4.61243 numMergedOcc 0
20 mol 241 unq 2 iso 0 dist 5.40961 10.6514 8.28853 4.61243 7.95042 9.3302 numMergedOcc 0
21 mol 241 unq 2 iso 1 dist 8.28853 10.6514 5.40961 9.3302 7.95042 4.61243 numMergedOcc 0
22 mol 241 unq 3 iso 0 dist 5.40961 10.8361 8.71739 4.61243 7.95042 11.4584 numMergedOcc 0
23 mol 241 unq 3 iso 1 dist 8.71739 10.8361 5.40961 11.4584 7.95042 4.61243 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 8.74174 10.5562 5.57621 5.82647 7.95042 6.31237 numMergedOcc 0
25 mol 241 unq 1 iso 1 dist 5.57621 10.5562 8.74174 6.31237 7.95042 5.82647 numMergedOcc 0
26 mol 241 unq 2 iso 0 dist 8.74174 12.2475 8.28853 5.82647 7.95042 9.3302 numMergedOcc 0
27 mol 241 unq 2 iso 1 dist 8.28853 12.2475 8.74174 9.3302 7.95042 5.82647 numMergedOcc 0
28 mol 241 unq 3 iso 0 dist 8.74174 11.1523 8.71739 5.82647 7.95042 11.4584 numMergedOcc 0
29 mol 241 unq 3 iso 1 dist 8.71739 11.1523 8.74174 11.4584 7.95042 5.82647 numMergedOcc 0
30 mol 241 unq 2 iso 0 dist 5.57621 6.2611 8.28853 6.31237 7.95042 9.3302 numMergedOcc 0
31 mol 241 unq 2 iso 1 dist 8.28853 6.2611 5.57621 9.3302 7.95042 6.31237 numMergedOcc 0
32 mol 241 unq 3 iso 0 dist 5.57621 10.4503 8.71739 6.31237 7.95042 11.4584 numMergedOcc 0
33 mol 241 unq 3 iso 1 dist 8.71739 10.4503 5.57621 11.4584 7.95042 6.31237 numMergedOcc 0
34 mol 241 unq 3 iso 0 dist 8.28853 6.30082 8.71739 9.3302 7.95042 11.4584 numMergedOcc 0
35 mol 241 unq 3 iso 1 dist 8.71739 6.30082 8.28853 11.4584 7.95042 9.3302 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 9.13483 4.94574 5.16581 6.16483 6.34915 5.48725 numMergedOcc 0
37 mol 257 unq 0 iso 1 dist 5.16581 4.94574 9.13483 5.48725 6.34915 6.16483 numMergedOcc 0
38 mol 257 unq 1 iso 0 dist 6.44188 4.94574 5.13633 6.16483 7.81897 5.48725 numMergedOcc 0
39 mol 257 unq 1 iso 1 dist 5.13633 4.94574 6.44188 5.48725 7.81897 6.16483 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 6.20796 5.73422 7.73693 4.66338 8.29262 10.3972 numMergedOcc 0
41 mol 264 unq 0 iso 1 dist 7.73693 5.73422 6.20796 10.3972 8.29262 4.66338 numMergedOcc 0
42 mol 276 unq 0 iso 0 dist 6.97104 4.24907 8.63281 9.98339 8.6759 7.37489 numMergedOcc 0
43 mol 276 unq 0 iso 1 dist 8.63281 4.24907 6.97104 7.37489 8.6759 9.98339 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 6.86014 10.7983 5.97073 11.4058 9.35539 6.9003 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 5.97073 10.7983 6.86014 6.9003 9.35539 11.4058 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 6.86014 10.7983 5.97073 14.6762 8.9682 11.3103 numMergedOcc 0
47 mol 277 unq 1 iso 1 dist 5.97073 10.7983 6.86014 11.3103 8.9682 14.6762 numMergedOcc 0
48 mol 277 unq 2 iso 0 dist 6.86014 10.7983 5.97073 11.68 6.92711 10.5734 numMergedOcc 0
49 mol 277 unq 2 iso 1 dist 5.97073 10.7983 6.86014 10.5734 6.92711 11.68 numMergedOcc 0
50 mol 277 unq 3 iso 0 dist 6.86014 12.8545 6.49176 11.4058 9.35539 11.7592 numMergedOcc 0
51 mol 277 unq 3 iso 1 dist 6.49176 12.8545 6.86014 11.7592 9.35539 11.4058 numMergedOcc 0
52 mol 277 unq 4 iso 0 dist 6.86014 12.8545 6.49176 14.6762 8.9682 6.40883 numMergedOcc 0
53 mol 277 unq 4 iso 1 dist 6.49176 12.8545 6.86014 6.40883 8.9682 14.6762 numMergedOcc 0
54 mol 277 unq 5 iso 0 dist 6.86014 12.8545 6.49176 11.68 6.92711 6.79352 numMergedOcc 0
55 mol 277 unq 5 iso 1 dist 6.49176 12.8545 6.86014 6.79352 6.92711 11.68 numMergedOcc 0
56 mol 277 unq 3 iso 0 dist 5.97073 5.3634 6.49176 6.9003 9.35539 11.7592 numMergedOcc 0
57 mol 277 unq 3 iso 1 dist 6.49176 5.3634 5.97073 11.7592 9.35539 6.9003 numMergedOcc 0
58 mol 277 unq 4 iso 0 dist 5.97073 5.3634 6.49176 11.3103 8.9682 6.40883 numMergedOcc 0
59 mol 277 unq 4 iso 1 dist 6.49176 5.3634 5.97073 6.40883 8.9682 11.3103 numMergedOcc 0
60 mol 277 unq 5 iso 0 dist 5.97073 5.3634 6.49176 10.5734 6.92711 6.79352 numMergedOcc 0
61 mol 277 unq 5 iso 1 dist 6.49176 5.3634 5.97073 6.79352 6.92711 10.5734 numMergedOcc 0
62 mol 277 unq 6 iso 0 dist 8.23147 7.10569 8.20217 6.40883 5.46926 6.68571 numMergedOcc 0
63 mol 277 unq 6 iso 1 dist 8.20217 7.10569 8.23147 6.68571 5.46926 6.40883 numMergedOcc 0
64 mol 277 unq 7 iso 0 dist 8.23147 7.10569 8.20217 6.79352 5.13913 9.44642 numMergedOcc 0
65 mol 277 unq 7 iso 1 dist 8.20217 7.10569 8.23147 9.44642 5.13913 6.79352 numMergedOcc 0
66 mol 292 unq 0 iso 0 dist 6.87804 12.3032 6.07571 4.77692 7.20674 11.6413 numMergedOcc 0
67 mol 292 unq 0 iso 1 dist 6.07571 12.3032 6.87804 11.6413 7.20674 4.77692 numMergedOcc 0
68 mol 292 unq 1 iso 0 dist 6.87804 12.3032 6.07571 6.38012 8.38121 14.3549 numMergedOcc 0
69 mol 292 unq 1 iso 1 dist 6.07571 12.3032 6.87804 14.3549 8.38121 6.38012 numMergedOcc 0
