0 mol 26 unq 0 iso 0 dist 8.42581 9.06516 9.45442 6.79475 4.39827 9.56136 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.42581 6.79475 4.39827 9.06516 9.45442 9.56136 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.72896 6.52887 6.9277 8.35444 12.2387 13.6068 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 8.72896 8.35444 12.2387 6.52887 6.9277 13.6068 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.62481 6.52887 6.94466 8.35444 9.30293 13.6068 numMergedOcc 0
5 mol 59 unq 1 iso 1 dist 6.62481 8.35444 9.30293 6.52887 6.94466 13.6068 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.05798 6.55202 9.75037 9.08536 13.2984 12.7135 numMergedOcc 0
7 mol 119 unq 0 iso 1 dist 9.05798 9.08536 13.2984 6.55202 9.75037 12.7135 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.85818 6.55202 6.71103 9.08536 6.29394 12.7135 numMergedOcc 0
9 mol 119 unq 1 iso 1 dist 5.85818 9.08536 6.29394 6.55202 6.71103 12.7135 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.77898 5.73203 12.9744 6.57379 15.1517 4.87973 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 8.77898 6.57379 15.1517 5.73203 12.9744 4.87973 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.40901 8.18023 9.05786 7.46803 6.16103 10.1474 numMergedOcc 0
13 mol 143 unq 0 iso 1 dist 6.40901 7.46803 6.16103 8.18023 9.05786 10.1474 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 9.40626 8.18023 3.75378 7.46803 8.4697 10.1474 numMergedOcc 0
15 mol 143 unq 1 iso 1 dist 9.40626 7.46803 8.4697 8.18023 3.75378 10.1474 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 7.54706 8.62366 9.35572 9.44973 5.74438 6.03503 numMergedOcc 0
17 mol 173 unq 0 iso 1 dist 7.54706 9.44973 5.74438 8.62366 9.35572 6.03503 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 7.54706 8.62366 9.35572 6.52508 8.43374 7.19559 numMergedOcc 0
19 mol 173 unq 1 iso 1 dist 7.54706 6.52508 8.43374 8.62366 9.35572 7.19559 numMergedOcc 0
20 mol 173 unq 1 iso 0 dist 7.54706 9.44973 5.74438 6.52508 8.43374 6.51246 numMergedOcc 0
21 mol 173 unq 1 iso 1 dist 7.54706 6.52508 8.43374 9.44973 5.74438 6.51246 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 6.4829 6.49938 7.93147 5.87339 9.86049 3.59461 numMergedOcc 0
23 mol 210 unq 0 iso 1 dist 6.4829 5.87339 9.86049 6.49938 7.93147 3.59461 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 5.13453 8.91356 6.35462 9.57455 5.72293 9.9109 numMergedOcc 0
25 mol 225 unq 0 iso 1 dist 5.13453 9.57455 5.72293 8.91356 6.35462 9.9109 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 7.95883 8.91356 16.563 9.57455 14.369 9.9109 numMergedOcc 0
27 mol 225 unq 1 iso 1 dist 7.95883 9.57455 14.369 8.91356 16.563 9.9109 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.89694 5.43613 5.63944 7.24334 8.5378 11.1752 numMergedOcc 0
29 mol 238 unq 0 iso 1 dist 6.89694 7.24334 8.5378 5.43613 5.63944 11.1752 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.44735 5.43613 6.94907 7.24334 11.4389 11.1752 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 6.44735 7.24334 11.4389 5.43613 6.94907 11.1752 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 5.91208 9.82327 9.58024 7.06768 6.94907 3.46869 numMergedOcc 0
33 mol 238 unq 2 iso 1 dist 5.91208 7.06768 6.94907 9.82327 9.58024 3.46869 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 5.91208 9.82327 9.58024 9.08687 4.14399 9.64248 numMergedOcc 0
35 mol 238 unq 3 iso 1 dist 5.91208 9.08687 4.14399 9.82327 9.58024 9.64248 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 5.91208 7.06768 6.94907 9.08687 4.14399 8.33582 numMergedOcc 0
37 mol 238 unq 3 iso 1 dist 5.91208 9.08687 4.14399 7.06768 6.94907 8.33582 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 6.39918 8.84648 4.67584 6.23661 7.32929 8.0048 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 6.39918 6.23661 7.32929 8.84648 4.67584 8.0048 numMergedOcc 0
