0 mol 8 unq 0 iso 0 dist 9.95422 9.00925 15.0835 8.89145 12.7683 5.7343 6.92865 12.3778 11.3728 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.95422 9.00925 15.0835 6.92865 12.3778 11.3728 8.89145 12.7683 5.7343 8.02605 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.65219 9.00925 15.5539 8.89145 13.0138 5.7343 6.92865 5.95251 11.3728 8.02605 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 7.65219 9.00925 15.5539 6.92865 5.95251 11.3728 8.89145 13.0138 5.7343 8.02605 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 7.78708 5.3957 9.38012 7.84393 10.38 10.5285 8.01051 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.8824 9.3147 5.83115 7.84393 10.38 10.5285 7.78708 5.3957 9.38012 8.01051 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.8824 9.79426 13.3381 7.78708 5.3957 9.55318 7.84393 10.38 9.84922 8.01051 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.8824 9.79426 13.3381 7.84393 10.38 9.84922 7.78708 5.3957 9.55318 8.01051 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.33492 9.3147 15.1867 7.78708 10.6828 9.38012 7.84393 6.01189 10.5285 8.01051 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 8.33492 9.3147 15.1867 7.84393 6.01189 10.5285 7.78708 10.6828 9.38012 8.01051 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.33492 9.79426 6.1852 7.78708 10.6828 9.55318 7.84393 6.01189 9.84922 8.01051 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 8.33492 9.79426 6.1852 7.84393 6.01189 9.84922 7.78708 10.6828 9.55318 8.01051 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 7.32268 8.36667 8.99315 8.24121 8.0675 14.9981 8.52371 12.8766 13.689 10.149 numMergedOcc 0
13 mol 69 unq 0 iso 1 dist 7.32268 8.36667 8.99315 8.52371 12.8766 13.689 8.24121 8.0675 14.9981 10.149 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 7.32268 8.36667 8.99315 8.24121 8.0675 14.9981 6.8198 7.98306 5.23597 12.0119 numMergedOcc 0
15 mol 69 unq 1 iso 1 dist 7.32268 8.36667 8.99315 6.8198 7.98306 5.23597 8.24121 8.0675 14.9981 12.0119 numMergedOcc 0
16 mol 69 unq 1 iso 0 dist 7.32268 8.36667 8.99315 8.52371 12.8766 13.689 6.8198 7.98306 5.23597 9.16015 numMergedOcc 0
17 mol 69 unq 1 iso 1 dist 7.32268 8.36667 8.99315 6.8198 7.98306 5.23597 8.52371 12.8766 13.689 9.16015 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 9.35707 9.92335 15.1132 9.41832 12.5321 8.78908 5.44596 11.9489 4.83408 6.43459 numMergedOcc 0
19 mol 140 unq 0 iso 1 dist 9.35707 9.92335 15.1132 5.44596 11.9489 4.83408 9.41832 12.5321 8.78908 6.43459 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.35707 9.92335 15.1132 9.41832 12.5321 8.78908 9.69069 4.95731 12.2686 8.90548 numMergedOcc 0
21 mol 140 unq 1 iso 1 dist 9.35707 9.92335 15.1132 9.69069 4.95731 12.2686 9.41832 12.5321 8.78908 8.90548 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 9.35707 9.92335 15.1132 5.44596 11.9489 4.83408 9.69069 4.95731 12.2686 9.87462 numMergedOcc 0
23 mol 140 unq 1 iso 1 dist 9.35707 9.92335 15.1132 9.69069 4.95731 12.2686 5.44596 11.9489 4.83408 9.87462 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.30469 8.6609 16.4886 6.73365 12.0877 6.15969 9.45659 9.79219 11.0866 5.35493 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 9.30469 8.6609 16.4886 9.45659 9.79219 11.0866 6.73365 12.0877 6.15969 5.35493 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 9.30469 8.6609 16.4886 6.73365 12.0877 6.15969 9.44856 5.94412 13.5907 9.63234 numMergedOcc 0
27 mol 175 unq 1 iso 1 dist 9.30469 8.6609 16.4886 9.44856 5.94412 13.5907 6.73365 12.0877 6.15969 9.63234 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 9.30469 8.6609 16.4886 9.45659 9.79219 11.0866 9.44856 5.94412 13.5907 6.80157 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 9.30469 8.6609 16.4886 9.44856 5.94412 13.5907 9.45659 9.79219 11.0866 6.80157 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 9.30469 6.21546 10.7476 6.73365 12.0877 5.50014 9.45659 9.79219 7.39186 5.35493 numMergedOcc 0
31 mol 175 unq 2 iso 1 dist 9.30469 6.21546 10.7476 9.45659 9.79219 7.39186 6.73365 12.0877 5.50014 5.35493 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 9.30469 6.21546 10.7476 6.73365 12.0877 5.50014 9.44856 5.94412 7.05768 9.63234 numMergedOcc 0
33 mol 175 unq 3 iso 1 dist 9.30469 6.21546 10.7476 9.44856 5.94412 7.05768 6.73365 12.0877 5.50014 9.63234 numMergedOcc 0
34 mol 175 unq 3 iso 0 dist 9.30469 6.21546 10.7476 9.45659 9.79219 7.39186 9.44856 5.94412 7.05768 6.80157 numMergedOcc 0
35 mol 175 unq 3 iso 1 dist 9.30469 6.21546 10.7476 9.44856 5.94412 7.05768 9.45659 9.79219 7.39186 6.80157 numMergedOcc 0
36 mol 175 unq 4 iso 0 dist 9.30469 6.03184 4.81365 6.73365 12.0877 7.28617 9.45659 9.79219 5.77256 5.35493 numMergedOcc 0
37 mol 175 unq 4 iso 1 dist 9.30469 6.03184 4.81365 9.45659 9.79219 5.77256 6.73365 12.0877 7.28617 5.35493 numMergedOcc 0
38 mol 175 unq 5 iso 0 dist 9.30469 6.03184 4.81365 6.73365 12.0877 7.28617 9.44856 5.94412 4.96871 9.63234 numMergedOcc 0
39 mol 175 unq 5 iso 1 dist 9.30469 6.03184 4.81365 9.44856 5.94412 4.96871 6.73365 12.0877 7.28617 9.63234 numMergedOcc 0
40 mol 175 unq 5 iso 0 dist 9.30469 6.03184 4.81365 9.45659 9.79219 5.77256 9.44856 5.94412 4.96871 6.80157 numMergedOcc 0
41 mol 175 unq 5 iso 1 dist 9.30469 6.03184 4.81365 9.44856 5.94412 4.96871 9.45659 9.79219 5.77256 6.80157 numMergedOcc 0
42 mol 219 unq 0 iso 0 dist 9.48678 4.67452 4.86182 8.09769 13.0834 10.0509 7.24832 6.90908 5.48556 7.02195 numMergedOcc 0
43 mol 219 unq 0 iso 1 dist 9.48678 4.67452 4.86182 7.24832 6.90908 5.48556 8.09769 13.0834 10.0509 7.02195 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 6.45234 7.35148 9.97963 7.30244 8.70715 10.48 7.29796 10.898 5.23846 6.89336 numMergedOcc 0
45 mol 220 unq 0 iso 1 dist 6.45234 7.35148 9.97963 7.29796 10.898 5.23846 7.30244 8.70715 10.48 6.89336 numMergedOcc 0
46 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 9.94212 10.6103 18.385 7.34316 4.21803 8.16187 12.3422 numMergedOcc 0
47 mol 223 unq 0 iso 1 dist 9.03969 9.29204 12.1037 7.34316 4.21803 8.16187 9.94212 10.6103 18.385 12.3422 numMergedOcc 0
48 mol 223 unq 1 iso 0 dist 9.03969 9.14789 14.841 9.94212 10.6103 19.0281 7.34316 4.21803 11.2364 12.3422 numMergedOcc 0
49 mol 223 unq 1 iso 1 dist 9.03969 9.14789 14.841 7.34316 4.21803 11.2364 9.94212 10.6103 19.0281 12.3422 numMergedOcc 0
50 mol 223 unq 2 iso 0 dist 9.03969 7.80764 11.4317 9.94212 10.6103 4.67731 7.34316 4.21803 11.4951 12.3422 numMergedOcc 0
51 mol 223 unq 2 iso 1 dist 9.03969 7.80764 11.4317 7.34316 4.21803 11.4951 9.94212 10.6103 4.67731 12.3422 numMergedOcc 0
52 mol 223 unq 3 iso 0 dist 9.03969 5.75896 4.44076 9.94212 10.6103 7.19485 7.34316 4.21803 5.18719 12.3422 numMergedOcc 0
53 mol 223 unq 3 iso 1 dist 9.03969 5.75896 4.44076 7.34316 4.21803 5.18719 9.94212 10.6103 7.19485 12.3422 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 8.56954 5.56464 5.53578 9.23938 10.1392 7.7551 5.53477 numMergedOcc 0
55 mol 230 unq 0 iso 1 dist 9.26431 6.23346 4.32804 9.23938 10.1392 7.7551 8.56954 5.56464 5.53578 5.53477 numMergedOcc 0
56 mol 276 unq 0 iso 0 dist 9.15041 9.68846 12.7102 8.95876 5.88008 13.702 8.259 9.98469 6.21925 8.61035 numMergedOcc 0
57 mol 276 unq 0 iso 1 dist 9.15041 9.68846 12.7102 8.259 9.98469 6.21925 8.95876 5.88008 13.702 8.61035 numMergedOcc 0
58 mol 282 unq 0 iso 0 dist 9.06244 7.93511 10.499 6.84554 6.17747 4.58403 9.51581 7.94567 5.04235 4.66602 numMergedOcc 0
59 mol 282 unq 0 iso 1 dist 9.06244 7.93511 10.499 9.51581 7.94567 5.04235 6.84554 6.17747 4.58403 4.66602 numMergedOcc 0
