0 mol 11 unq 0 iso 0 dist 9.76233 6.64342 6.84216 11.8533 6.83186 11.0597 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.12713 13.6849 9.45756 4.64633 3.77542 9.26597 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 7.12713 13.6849 9.45756 13.8401 9.97314 4.60014 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.61831 5.66392 7.61521 5.5308 7.66068 10.5019 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.61831 5.66392 7.61521 10.5881 9.5043 13.3187 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.61831 5.66392 7.61521 9.74852 8.34132 10.3032 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.61514 12.3909 7.69926 10.8634 6.67137 6.35602 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.61514 12.3909 7.69926 15.0522 9.78707 13.5979 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.21116 12.3909 5.85237 13.6965 7.07839 3.88489 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 12.6759 7.91193 5.78841 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 10.513 9.09711 7.33192 numMergedOcc 0
11 mol 85 unq 5 iso 0 dist 8.21116 12.3909 5.85237 10.8634 7.04244 6.35602 numMergedOcc 0
12 mol 85 unq 6 iso 0 dist 8.21116 12.3909 5.85237 15.0522 9.63449 13.5979 numMergedOcc 0
13 mol 85 unq 7 iso 0 dist 8.21116 17.1393 9.11768 13.6965 7.07839 9.22202 numMergedOcc 0
14 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 10.513 9.09711 15.5226 numMergedOcc 0
15 mol 85 unq 9 iso 0 dist 8.21116 17.1393 9.11768 10.8634 7.04244 10.5854 numMergedOcc 0
16 mol 85 unq 10 iso 0 dist 8.21116 17.1393 9.11768 15.0522 9.63449 10.0606 numMergedOcc 0
17 mol 85 unq 11 iso 0 dist 8.21116 17.1393 9.11768 12.6759 7.91193 12.2858 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.91023 9.62604 7.92856 5.90092 6.5816 13.6536 numMergedOcc 0
19 mol 107 unq 0 iso 0 dist 4.99934 9.85159 9.45682 10.9097 8.88124 17.9917 numMergedOcc 0
20 mol 107 unq 1 iso 0 dist 4.99934 9.85159 9.45682 4.34186 8.19484 11.8593 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.27028 4.83846 7.02367 16.2029 7.02358 13.0914 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 8.31527 8.90504 7.53694 5.79975 7.84207 3.824 numMergedOcc 0
23 mol 120 unq 1 iso 0 dist 8.31527 8.90504 7.53694 12.8646 8.56947 4.96885 numMergedOcc 0
24 mol 120 unq 2 iso 0 dist 7.64841 8.90504 8.38358 5.37018 9.31385 9.4846 numMergedOcc 0
25 mol 120 unq 3 iso 0 dist 7.64841 8.90504 8.38358 5.79975 6.98791 3.824 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 6.91039 8.99682 8.64905 4.62104 4.3855 9.14188 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.24882 12.628 8.99891 6.03327 4.3855 6.75249 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.19926 11.8143 5.90765 4.32488 7.25595 12.1883 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 8.19926 11.8143 5.90765 12.1543 9.94825 6.89146 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 9.3032 5.69334 9.52922 12.2934 5.10542 12.8006 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 8.10451 13.5654 9.52922 11.2635 5.10542 12.8006 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 6.6747 11.1132 9.38984 11.2635 4.68722 11.6641 numMergedOcc 0
33 mol 194 unq 3 iso 0 dist 6.6747 11.1132 9.38984 10.5989 5.18325 7.3365 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 6.6747 14.0553 9.91118 11.2635 4.68722 10.0534 numMergedOcc 0
35 mol 194 unq 5 iso 0 dist 6.6747 14.0553 9.91118 10.5989 5.18325 6.3514 numMergedOcc 0
36 mol 194 unq 6 iso 0 dist 6.28412 7.69242 9.38984 5.18799 4.68722 11.6641 numMergedOcc 0
37 mol 194 unq 7 iso 0 dist 6.28412 7.69242 9.38984 4.45047 5.18325 7.3365 numMergedOcc 0
38 mol 194 unq 8 iso 0 dist 6.28412 5.16091 9.91118 5.18799 4.68722 10.0534 numMergedOcc 0
39 mol 194 unq 9 iso 0 dist 6.28412 5.16091 9.91118 4.45047 5.18325 6.3514 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 7.22151 5.78711 8.40074 3.64687 9.54529 8.68462 numMergedOcc 0
41 mol 266 unq 0 iso 0 dist 9.20906 8.34545 9.29666 10.0526 7.80711 14.5358 numMergedOcc 0
42 mol 266 unq 1 iso 0 dist 9.20906 8.34545 9.29666 16.8584 9.9965 18.7228 numMergedOcc 0
43 mol 266 unq 2 iso 0 dist 9.03099 18.0944 9.29666 7.98379 7.80711 14.5358 numMergedOcc 0
44 mol 266 unq 3 iso 0 dist 9.03099 18.0944 9.29666 4.58167 9.9965 18.7228 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 7.34927 6.29035 9.54359 9.69757 7.98956 13.7583 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 7.34927 6.29035 9.54359 10.2113 5.86185 13.6433 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 7.34927 6.29035 9.54359 8.92993 6.79748 10.469 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 7.34927 4.83355 5.69112 9.69757 7.98956 11.8607 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 7.34927 4.83355 5.69112 10.2113 5.86185 10.9137 numMergedOcc 0
50 mol 277 unq 5 iso 0 dist 7.34927 4.83355 5.69112 8.92993 6.79748 5.09884 numMergedOcc 0
51 mol 277 unq 6 iso 0 dist 7.54315 15.7541 9.54359 7.55695 7.98956 13.7583 numMergedOcc 0
52 mol 277 unq 7 iso 0 dist 7.54315 15.7541 9.54359 6.26644 5.86185 13.6433 numMergedOcc 0
53 mol 277 unq 8 iso 0 dist 7.54315 15.7541 9.54359 10.4453 6.79748 10.469 numMergedOcc 0
54 mol 277 unq 9 iso 0 dist 7.54315 11.2857 5.69112 7.55695 7.98956 11.8607 numMergedOcc 0
55 mol 277 unq 10 iso 0 dist 7.54315 11.2857 5.69112 6.26644 5.86185 10.9137 numMergedOcc 0
56 mol 277 unq 11 iso 0 dist 7.54315 11.2857 5.69112 10.4453 6.79748 5.09884 numMergedOcc 0
57 mol 277 unq 12 iso 0 dist 7.88615 12.1011 7.2091 10.6003 6.53598 5.09884 numMergedOcc 0
58 mol 281 unq 0 iso 0 dist 8.78416 6.83107 5.50053 16.2332 7.90368 12.8596 numMergedOcc 0
59 mol 281 unq 1 iso 0 dist 8.78416 6.83107 5.50053 10.564 6.69267 5.19196 numMergedOcc 0
60 mol 281 unq 2 iso 0 dist 9.22428 6.83107 7.33334 9.75261 5.33372 11.0049 numMergedOcc 0
61 mol 281 unq 3 iso 0 dist 9.22428 6.83107 7.33334 10.564 6.56886 5.19196 numMergedOcc 0
62 mol 281 unq 4 iso 0 dist 7.82358 5.22248 5.50053 12.9503 7.90368 12.8596 numMergedOcc 0
63 mol 281 unq 5 iso 0 dist 7.82358 5.22248 5.50053 9.45924 6.69267 5.19196 numMergedOcc 0
64 mol 281 unq 6 iso 0 dist 7.95687 12.5417 7.33334 3.73592 5.33372 11.0049 numMergedOcc 0
65 mol 281 unq 7 iso 0 dist 7.95687 12.5417 7.33334 10.8606 6.56886 5.19196 numMergedOcc 0
