0 mol 19 unq 0 iso 0 dist 9.50382 9.23617 4.20374 8.6541 8.76559 8.59114 11.8354 9.69454 7.48847 5.67097 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.50382 9.23617 4.20374 8.6541 8.76559 8.59114 14.4019 10.6173 6.92532 14.3476 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 9.50382 9.23617 4.20374 8.6541 8.76559 8.59114 10.38 10.1088 6.36455 12.7 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 8.76559 8.59114 4.20374 8.6541 9.50382 9.23617 5.67097 9.69454 7.48847 11.8354 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 8.76559 8.59114 4.20374 8.6541 9.50382 9.23617 14.3476 10.6173 6.92532 14.4019 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 8.76559 8.59114 4.20374 8.6541 9.50382 9.23617 12.7 10.1088 6.36455 10.38 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.27331 8.91206 6.28525 16.6115 8.60363 13.9485 12.3394 9.02288 8.03303 16.3515 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 6.60356 6.14415 6.04919 9.81157 7.11187 12.666 6.89762 11.5472 7.12017 16.105 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.02969 7.35503 7.99528 4.22711 7.02265 8.79543 10.0299 14.3405 7.23962 11.7503 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.02969 7.35503 7.99528 4.22711 7.02265 8.79543 9.13496 13.1901 9.00067 8.0952 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 7.02969 7.35503 7.99528 4.22711 7.02265 8.79543 10.1793 11.3604 9.89499 7.12714 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 7.02969 7.35503 7.99528 4.22711 7.02265 8.79543 11.5698 13.2326 7.30204 10.886 numMergedOcc 0
12 mol 112 unq 4 iso 0 dist 7.02969 7.35503 7.99528 10.5302 9.42175 6.48223 10.0299 14.3405 7.23962 10.626 numMergedOcc 0
13 mol 112 unq 5 iso 0 dist 7.02969 7.35503 7.99528 10.5302 9.42175 6.48223 9.13496 13.1901 9.00067 8.19562 numMergedOcc 0
14 mol 112 unq 6 iso 0 dist 7.02969 7.35503 7.99528 10.5302 9.42175 6.48223 10.1793 11.3604 9.89499 5.71097 numMergedOcc 0
15 mol 112 unq 7 iso 0 dist 7.02969 7.35503 7.99528 10.5302 9.42175 6.48223 11.5698 13.2326 7.30204 5.27363 numMergedOcc 0
16 mol 112 unq 8 iso 0 dist 7.02265 8.79543 7.99528 4.22711 7.02969 7.35503 11.7503 14.3405 7.23962 10.0299 numMergedOcc 0
17 mol 112 unq 9 iso 0 dist 7.02265 8.79543 7.99528 4.22711 7.02969 7.35503 8.0952 13.1901 9.00067 9.13496 numMergedOcc 0
18 mol 112 unq 10 iso 0 dist 7.02265 8.79543 7.99528 4.22711 7.02969 7.35503 7.12714 11.3604 9.89499 10.1793 numMergedOcc 0
19 mol 112 unq 11 iso 0 dist 7.02265 8.79543 7.99528 4.22711 7.02969 7.35503 10.886 13.2326 7.30204 11.5698 numMergedOcc 0
20 mol 112 unq 12 iso 0 dist 7.02265 8.79543 7.99528 9.00066 9.42175 6.48223 11.7503 14.3405 7.23962 10.626 numMergedOcc 0
21 mol 112 unq 13 iso 0 dist 7.02265 8.79543 7.99528 9.00066 9.42175 6.48223 8.0952 13.1901 9.00067 8.19562 numMergedOcc 0
22 mol 112 unq 14 iso 0 dist 7.02265 8.79543 7.99528 9.00066 9.42175 6.48223 7.12714 11.3604 9.89499 5.71097 numMergedOcc 0
23 mol 112 unq 15 iso 0 dist 7.02265 8.79543 7.99528 9.00066 9.42175 6.48223 10.886 13.2326 7.30204 5.27363 numMergedOcc 0
24 mol 112 unq 16 iso 0 dist 9.42175 6.48223 7.99528 10.5302 7.02969 7.35503 10.626 14.3405 7.23962 10.0299 numMergedOcc 0
25 mol 112 unq 17 iso 0 dist 9.42175 6.48223 7.99528 10.5302 7.02969 7.35503 8.19562 13.1901 9.00067 9.13496 numMergedOcc 0
26 mol 112 unq 18 iso 0 dist 9.42175 6.48223 7.99528 10.5302 7.02969 7.35503 5.71097 11.3604 9.89499 10.1793 numMergedOcc 0
27 mol 112 unq 19 iso 0 dist 9.42175 6.48223 7.99528 10.5302 7.02969 7.35503 5.27363 13.2326 7.30204 11.5698 numMergedOcc 0
28 mol 112 unq 20 iso 0 dist 9.42175 6.48223 7.99528 9.00066 7.02265 8.79543 10.626 14.3405 7.23962 11.7503 numMergedOcc 0
29 mol 112 unq 21 iso 0 dist 9.42175 6.48223 7.99528 9.00066 7.02265 8.79543 8.19562 13.1901 9.00067 8.0952 numMergedOcc 0
30 mol 112 unq 22 iso 0 dist 9.42175 6.48223 7.99528 9.00066 7.02265 8.79543 5.71097 11.3604 9.89499 7.12714 numMergedOcc 0
31 mol 112 unq 23 iso 0 dist 9.42175 6.48223 7.99528 9.00066 7.02265 8.79543 5.27363 13.2326 7.30204 10.886 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 7.9663 4.85559 4.79695 5.84182 6.54338 6.87562 7.09664 12.0527 8.33077 9.03539 numMergedOcc 0
33 mol 130 unq 1 iso 0 dist 7.9663 4.85559 4.79695 13.2888 7.47653 11.6546 7.09664 12.0527 8.33077 16.3365 numMergedOcc 0
34 mol 130 unq 2 iso 0 dist 6.54338 6.87562 4.79695 5.84182 7.9663 4.85559 9.03539 12.0527 8.33077 7.09664 numMergedOcc 0
35 mol 130 unq 3 iso 0 dist 6.54338 6.87562 4.79695 8.39466 7.47653 11.6546 9.03539 12.0527 8.33077 16.3365 numMergedOcc 0
36 mol 130 unq 4 iso 0 dist 9.39135 6.87562 8.11667 8.39466 8.97124 11.6546 9.03539 15.8249 8.33077 16.3365 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 7.71277 9.19078 10.4193 9.80549 5.59682 12.5941 7.17016 8.89982 9.77552 6.62991 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 7.71277 9.19078 10.4193 9.80549 5.59682 12.5941 11.3742 14.5119 8.28642 13.4463 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 9.45817 4.97005 10.763 11.2035 6.43585 12.4751 11.3961 17.5534 9.56197 15.4925 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 9.45817 4.97005 10.763 11.2035 6.43585 12.4751 10.0248 17.9229 7.24795 19.2195 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 9.45817 4.97005 10.763 11.2035 6.43585 12.4751 9.14781 10.9329 8.64409 7.56632 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 9.45817 4.97005 10.763 11.2035 6.43585 12.4751 6.69897 14.1784 7.60202 12.8164 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 8.42706 9.98606 17.6604 6.70676 6.58277 15.2583 6.01492 14.2643 7.71657 10.9115 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 8.42706 9.98606 17.6604 16.4476 8.12204 25.7504 6.01492 14.2643 7.71657 22.0859 numMergedOcc 0
45 mol 282 unq 0 iso 0 dist 8.61456 6.91282 6.85098 5.92133 8.41041 5.51953 11.0508 14.0198 8.0241 7.1564 numMergedOcc 0
46 mol 282 unq 1 iso 0 dist 8.41041 5.51953 6.85098 5.92133 8.61456 6.91282 7.1564 14.0198 8.0241 11.0508 numMergedOcc 0
47 mol 285 unq 0 iso 0 dist 8.63954 7.06878 11.6511 14.0446 7.97209 19.0109 5.93692 13.8061 5.31728 19.8465 numMergedOcc 0
