0 mol 46 unq 0 iso 0 dist 7.23371 6.75911 3.77542 14.8231 9.26597 9.45756 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 5.19407 4.61081 6.79423 10.1695 6.78054 8.26541 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 5.19407 4.61081 6.79423 6.68311 4.7874 4.86198 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 5.19407 4.61081 6.79423 10.1663 10.3016 6.62699 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 5.19407 4.61081 6.79423 9.96602 9.35725 8.98867 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.50622 6.75646 8.42738 5.57265 5.34874 7.69072 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 4.45433 6.75646 8.79979 5.57265 3.68023 7.69072 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.60619 4.91617 4.15789 6.09906 3.83059 5.25027 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 7.60619 8.05938 4.808 6.09906 3.83059 4.37025 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.2753 4.24482 4.18248 11.2447 8.37717 8.04242 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.69371 9.05868 4.91212 9.04546 6.34994 9.06601 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 8.69371 9.16288 9.34782 9.04546 6.34994 5.98809 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.22398 8.51521 5.86379 8.46684 4.18693 5.93278 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.22398 11.3635 6.21029 8.46684 4.18693 6.19918 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.70636 4.13866 6.55227 11.4333 5.49724 8.51123 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 6.82267 10.1108 6.55227 11.0982 5.49724 8.51123 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 7.43045 5.76787 5.60448 13.5907 6.80544 9.3273 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.44543 5.37143 8.66299 9.02643 10.0874 5.77511 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.44543 5.37143 8.66299 8.68368 5.10494 9.27311 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 9.57637 11.8739 4.68668 13.1539 3.65199 5.30118 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 9.57637 11.8739 4.68668 13.7103 5.70614 8.98698 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.57637 11.8739 4.68668 13.1539 3.65199 5.30118 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 9.57637 11.8739 4.68668 13.7103 5.70614 8.98698 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.57637 11.8739 4.68668 13.1539 3.65199 5.30118 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 9.57637 11.8739 4.68668 13.7103 5.70614 8.98698 numMergedOcc 0
