0 mol 10 unq 0 iso 0 dist 9.30107 9.40965 15.1293 7.45552 6.74091 16.1947 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.30107 4.89792 8.12738 7.45552 6.74091 8.44792 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.44899 7.37634 16.6458 5.08675 5.29367 12.3794 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.44899 7.37634 16.6458 6.66905 8.07937 13.1921 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 7.41403 7.65918 12.9685 6.24786 7.04707 13.411 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.79074 7.37634 3.9368 6.21692 7.04707 7.26165 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.87499 8.15347 13.4047 6.21952 8.61226 12.1447 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 8.2359 8.15347 9.29547 6.21952 5.90481 12.1447 numMergedOcc 0
8 mol 30 unq 2 iso 0 dist 8.2359 8.15347 9.29547 5.06613 6.30807 5.80534 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.29997 5.38363 6.25587 5.10938 7.17678 5.75135 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 5.29884 8.37507 5.74216 3.97579 6.02644 8.14427 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 9.71728 7.66528 13.5215 10.0023 8.54297 15.0673 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 9.71728 7.66528 13.5215 4.9915 9.35162 8.46801 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 8.51999 7.07933 3.86496 14.3008 8.56204 7.33643 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 7.78107 8.41062 6.12764 10.6543 7.38022 13.3426 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 7.78107 8.93793 9.83826 10.6543 7.38022 15.1099 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 6.89237 6.52233 6.12764 11.2201 7.38022 13.3426 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 4.80928 7.65636 11.3639 3.92006 7.79013 8.49869 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.92576 7.65636 6.51662 3.92006 9.33399 8.49869 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 5.67503 9.40917 3.8221 8.73438 8.09021 9.81436 numMergedOcc 0
20 mol 265 unq 1 iso 0 dist 5.67503 5.44039 3.5393 8.73438 8.09021 5.8898 numMergedOcc 0
21 mol 265 unq 2 iso 0 dist 8.35562 9.40917 8.11011 8.73438 6.98451 9.81436 numMergedOcc 0
22 mol 265 unq 3 iso 0 dist 8.35562 5.44039 3.99477 8.73438 6.98451 5.8898 numMergedOcc 0
