0 mol 7 unq 0 iso 0 dist 6.66645 10.84 9.55056 12.0608 8.15894 4.40641 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.66645 6.58295 7.45262 12.0608 8.15894 7.92429 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.22017 10.84 7.57354 12.0608 8.45544 4.40641 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.22017 6.58295 6.96586 12.0608 8.45544 7.92429 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.32113 7.23962 8.42581 4.56199 7.90721 5.11733 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 6.50983 5.70213 8.19733 8.13434 7.99016 5.94068 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 6.50983 5.70213 8.19733 9.18004 6.41793 6.96883 numMergedOcc 0
7 mol 39 unq 2 iso 0 dist 6.50983 5.70213 8.19733 8.87798 6.50101 9.56481 numMergedOcc 0
8 mol 39 unq 3 iso 0 dist 6.50983 11.2297 8.57165 8.13434 7.99016 13.5954 numMergedOcc 0
9 mol 39 unq 4 iso 0 dist 6.50983 11.2297 8.57165 9.18004 6.41793 13.0639 numMergedOcc 0
10 mol 39 unq 5 iso 0 dist 6.50983 11.2297 8.57165 8.87798 6.50101 9.32558 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 6.59067 10.8447 8.98797 9.87628 5.07125 6.43007 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 7.65992 12.7743 8.80104 8.42586 8.05514 11.8533 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 9.40222 6.01992 6.48531 4.70063 9.16452 4.36469 numMergedOcc 0
14 mol 71 unq 1 iso 0 dist 8.87417 8.73829 6.48531 6.52737 9.16452 4.36469 numMergedOcc 0
15 mol 74 unq 0 iso 0 dist 8.46846 7.09879 8.2657 13.5316 7.94725 8.22956 numMergedOcc 0
16 mol 74 unq 1 iso 0 dist 7.37827 6.37457 8.2657 4.43101 7.94725 8.22956 numMergedOcc 0
17 mol 74 unq 2 iso 0 dist 9.9321 5.67386 4.79413 8.23298 6.3567 5.38404 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.67948 5.32838 7.82011 7.65123 9.97483 10.119 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 9.67948 5.32838 7.82011 7.04523 5.43933 8.36589 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 9.67948 5.32838 7.82011 6.74766 4.99604 4.89178 numMergedOcc 0
21 mol 112 unq 3 iso 0 dist 9.67948 5.32838 7.82011 12.703 7.44041 9.69404 numMergedOcc 0
22 mol 112 unq 4 iso 0 dist 6.55773 7.06309 7.82011 6.00039 5.43933 8.36589 numMergedOcc 0
23 mol 112 unq 5 iso 0 dist 6.55773 7.06309 7.82011 10.0699 9.97483 10.119 numMergedOcc 0
24 mol 112 unq 6 iso 0 dist 6.55773 7.06309 7.82011 3.50778 4.99604 4.89178 numMergedOcc 0
25 mol 112 unq 7 iso 0 dist 6.55773 7.06309 7.82011 12.7907 7.44041 9.69404 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 8.15524 10.1854 6.39981 3.96267 6.11331 9.88872 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 7.98533 7.47532 7.48284 8.40761 7.79115 6.39872 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.8747 7.13867 9.83885 8.66359 7.53395 13.4094 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 5.81013 6.50862 7.95883 6.53092 9.22269 5.65395 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.52129 12.4402 7.61203 6.10342 6.53286 9.75095 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.52129 12.4266 9.47845 6.10342 6.53286 11.7938 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 6.52129 11.091 6.92409 6.10342 6.53286 11.7709 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 6.52129 10.4365 6.89694 6.10342 6.53286 6.12722 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 9.00798 6.15482 6.57207 7.92795 9.39658 9.43777 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 5.63728 5.66191 7.89335 4.5781 8.49032 4.28765 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 7.47128 8.2571 6.98048 16.7369 9.30437 12.7895 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 5.71854 6.66547 8.27054 10.3623 9.07503 9.97692 numMergedOcc 0
38 mol 284 unq 1 iso 0 dist 5.71854 6.66547 8.27054 7.89015 7.63256 10.6148 numMergedOcc 0
39 mol 284 unq 2 iso 0 dist 7.66625 4.83989 8.27054 5.26543 9.07503 9.97692 numMergedOcc 0
40 mol 284 unq 3 iso 0 dist 7.66625 4.83989 8.27054 6.6556 7.63256 10.6148 numMergedOcc 0
