0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 6.44736 5.28462 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.5706 6.44736 5.28462 6.7985 5.82034 6.14349 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.79837 6.55811 9.84125 7.36018 6.12805 5.43306 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.79837 7.36018 6.12805 6.55811 9.84125 5.43306 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.79837 6.55811 9.84125 8.48677 7.26017 6.17866 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 6.79837 8.48677 7.26017 6.55811 9.84125 6.17866 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.79837 7.36018 6.12805 8.48677 7.26017 4.41171 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 6.79837 8.48677 7.26017 7.36018 6.12805 4.41171 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 8.07369 8.64915 9.84125 8.17347 6.12805 5.43306 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 8.07369 8.17347 6.12805 8.64915 9.84125 5.43306 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 8.07369 8.64915 9.84125 7.83133 6.78475 11.3401 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 8.07369 7.83133 6.78475 8.64915 9.84125 11.3401 numMergedOcc 0
12 mol 9 unq 3 iso 0 dist 8.07369 8.17347 6.12805 7.83133 6.78475 6.8386 numMergedOcc 0
13 mol 9 unq 3 iso 1 dist 8.07369 7.83133 6.78475 8.17347 6.12805 6.8386 numMergedOcc 0
14 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 6.03547 11.0764 6.92904 numMergedOcc 0
15 mol 20 unq 0 iso 1 dist 9.8099 6.03547 11.0764 7.51452 5.095 6.92904 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 9.61998 7.33768 4.86245 9.01567 12.4877 7.88693 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 9.61998 9.01567 12.4877 7.33768 4.86245 7.88693 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 9.61998 7.33768 4.86245 7.29868 14.5906 10.2653 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 9.61998 7.29868 14.5906 7.33768 4.86245 10.2653 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 9.61998 9.01567 12.4877 7.29868 14.5906 6.16544 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 9.61998 7.29868 14.5906 9.01567 12.4877 6.16544 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 5.63261 7.07339 6.48832 7.23317 5.00469 4.69259 numMergedOcc 0
23 mol 54 unq 0 iso 1 dist 5.63261 7.23317 5.00469 7.07339 6.48832 4.69259 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 7.48658 8.18107 10.5097 5.9465 6.60364 9.38827 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 7.48658 5.9465 6.60364 8.18107 10.5097 9.38827 numMergedOcc 0
26 mol 108 unq 0 iso 0 dist 9.56285 9.01852 10.0128 9.75958 6.46036 8.93829 numMergedOcc 0
27 mol 108 unq 0 iso 1 dist 9.56285 9.75958 6.46036 9.01852 10.0128 8.93829 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.69217 6.52773 7.03042 9.23858 10.0127 12.3703 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 6.69217 9.23858 10.0127 6.52773 7.03042 12.3703 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.64695 9.22232 15.8925 9.22661 12.4336 18.2432 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 9.64695 9.22661 12.4336 9.22232 15.8925 18.2432 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 9.64695 9.22232 15.8925 7.56378 9.98416 15.4484 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 9.64695 7.56378 9.98416 9.22232 15.8925 15.4484 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 9.64695 9.22661 12.4336 7.56378 9.98416 7.33253 numMergedOcc 0
35 mol 133 unq 1 iso 1 dist 9.64695 7.56378 9.98416 9.22661 12.4336 7.33253 numMergedOcc 0
36 mol 170 unq 0 iso 0 dist 9.48574 6.35982 10.5942 7.51126 5.6109 6.24983 numMergedOcc 0
37 mol 170 unq 0 iso 1 dist 9.48574 7.51126 5.6109 6.35982 10.5942 6.24983 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 6.42016 7.36683 10.9989 6.95086 6.66806 9.90317 numMergedOcc 0
39 mol 195 unq 0 iso 1 dist 6.42016 6.95086 6.66806 7.36683 10.9989 9.90317 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 8.02386 7.50013 6.08776 5.81233 9.67405 5.33623 numMergedOcc 0
41 mol 197 unq 0 iso 1 dist 8.02386 5.81233 9.67405 7.50013 6.08776 5.33623 numMergedOcc 0
42 mol 197 unq 1 iso 0 dist 8.02386 7.50013 6.08776 6.92924 6.34927 9.20574 numMergedOcc 0
43 mol 197 unq 1 iso 1 dist 8.02386 6.92924 6.34927 7.50013 6.08776 9.20574 numMergedOcc 0
44 mol 197 unq 2 iso 0 dist 8.02386 7.50013 6.08776 7.14306 12.7634 10.8407 numMergedOcc 0
45 mol 197 unq 2 iso 1 dist 8.02386 7.14306 12.7634 7.50013 6.08776 10.8407 numMergedOcc 0
46 mol 197 unq 1 iso 0 dist 8.02386 5.81233 9.67405 6.92924 6.34927 11.2132 numMergedOcc 0
47 mol 197 unq 1 iso 1 dist 8.02386 6.92924 6.34927 5.81233 9.67405 11.2132 numMergedOcc 0
48 mol 197 unq 2 iso 0 dist 8.02386 5.81233 9.67405 7.14306 12.7634 9.56047 numMergedOcc 0
49 mol 197 unq 2 iso 1 dist 8.02386 7.14306 12.7634 5.81233 9.67405 9.56047 numMergedOcc 0
50 mol 197 unq 2 iso 0 dist 8.02386 6.92924 6.34927 7.14306 12.7634 8.81358 numMergedOcc 0
51 mol 197 unq 2 iso 1 dist 8.02386 7.14306 12.7634 6.92924 6.34927 8.81358 numMergedOcc 0
52 mol 197 unq 3 iso 0 dist 6.6259 7.50013 11.529 5.81233 11.1317 5.33623 numMergedOcc 0
53 mol 197 unq 3 iso 1 dist 6.6259 5.81233 11.1317 7.50013 11.529 5.33623 numMergedOcc 0
54 mol 197 unq 4 iso 0 dist 6.6259 7.50013 11.529 6.92924 6.01177 9.20574 numMergedOcc 0
55 mol 197 unq 4 iso 1 dist 6.6259 6.92924 6.01177 7.50013 11.529 9.20574 numMergedOcc 0
56 mol 197 unq 5 iso 0 dist 6.6259 7.50013 11.529 7.14306 4.09986 10.8407 numMergedOcc 0
57 mol 197 unq 5 iso 1 dist 6.6259 7.14306 4.09986 7.50013 11.529 10.8407 numMergedOcc 0
58 mol 197 unq 4 iso 0 dist 6.6259 5.81233 11.1317 6.92924 6.01177 11.2132 numMergedOcc 0
59 mol 197 unq 4 iso 1 dist 6.6259 6.92924 6.01177 5.81233 11.1317 11.2132 numMergedOcc 0
60 mol 197 unq 5 iso 0 dist 6.6259 5.81233 11.1317 7.14306 4.09986 9.56047 numMergedOcc 0
61 mol 197 unq 5 iso 1 dist 6.6259 7.14306 4.09986 5.81233 11.1317 9.56047 numMergedOcc 0
62 mol 197 unq 5 iso 0 dist 6.6259 6.92924 6.01177 7.14306 4.09986 8.81358 numMergedOcc 0
63 mol 197 unq 5 iso 1 dist 6.6259 7.14306 4.09986 6.92924 6.01177 8.81358 numMergedOcc 0
64 mol 206 unq 0 iso 0 dist 5.52084 6.16414 9.78738 7.33701 7.21306 6.46458 numMergedOcc 0
65 mol 206 unq 0 iso 1 dist 5.52084 7.33701 7.21306 6.16414 9.78738 6.46458 numMergedOcc 0
66 mol 206 unq 1 iso 0 dist 5.52084 6.16414 9.78738 8.0871 4.91529 9.9892 numMergedOcc 0
67 mol 206 unq 1 iso 1 dist 5.52084 8.0871 4.91529 6.16414 9.78738 9.9892 numMergedOcc 0
68 mol 206 unq 1 iso 0 dist 5.52084 7.33701 7.21306 8.0871 4.91529 4.38701 numMergedOcc 0
69 mol 206 unq 1 iso 1 dist 5.52084 8.0871 4.91529 7.33701 7.21306 4.38701 numMergedOcc 0
70 mol 213 unq 0 iso 0 dist 8.29133 7.37798 14.6555 7.73322 4.14961 13.2902 numMergedOcc 0
71 mol 213 unq 0 iso 1 dist 8.29133 7.73322 4.14961 7.37798 14.6555 13.2902 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 7.27632 6.30154 12.1933 7.32499 5.20198 10.0708 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 7.27632 7.32499 5.20198 6.30154 12.1933 10.0708 numMergedOcc 0
74 mol 237 unq 0 iso 0 dist 8.8949 7.41478 5.76833 9.20822 10.9723 8.65228 numMergedOcc 0
75 mol 237 unq 0 iso 1 dist 8.8949 9.20822 10.9723 7.41478 5.76833 8.65228 numMergedOcc 0
