0 mol 18 unq 0 iso 0 dist 8.17979 9.00899 11.4319 7.826 5.69898 13.3026 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.17979 7.826 5.69898 9.00899 11.4319 13.3026 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.41008 6.04822 11.7739 7.72717 9.6251 4.64241 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.41008 7.72717 9.6251 6.04822 11.7739 4.64241 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.48375 9.40953 17.1356 9.57896 16.6725 6.98724 numMergedOcc 0
5 mol 27 unq 0 iso 1 dist 9.48375 9.57896 16.6725 9.40953 17.1356 6.98724 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 6.85127 9.40953 12.1419 9.57896 12.5927 6.98724 numMergedOcc 0
7 mol 27 unq 1 iso 1 dist 6.85127 9.57896 12.5927 9.40953 12.1419 6.98724 numMergedOcc 0
8 mol 27 unq 2 iso 0 dist 8.58169 9.40953 5.68274 9.57896 5.5733 6.98724 numMergedOcc 0
9 mol 27 unq 2 iso 1 dist 8.58169 9.57896 5.5733 9.40953 5.68274 6.98724 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 5.8166 8.58849 5.39975 5.73075 8.37969 7.0773 numMergedOcc 0
11 mol 59 unq 0 iso 1 dist 5.8166 5.73075 8.37969 8.58849 5.39975 7.0773 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 6.47468 8.58849 5.46757 5.73075 3.58984 7.0773 numMergedOcc 0
13 mol 59 unq 1 iso 1 dist 6.47468 5.73075 3.58984 8.58849 5.46757 7.0773 numMergedOcc 0
14 mol 62 unq 0 iso 0 dist 7.30392 5.92285 10.9045 8.38687 15.6343 8.33965 numMergedOcc 0
15 mol 62 unq 0 iso 1 dist 7.30392 8.38687 15.6343 5.92285 10.9045 8.33965 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.46578 8.64976 4.97581 9.52159 7.96289 5.00831 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 4.46578 9.52159 7.96289 8.64976 4.97581 5.00831 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 5.86949 9.23896 8.49619 6.02506 8.01366 7.36601 numMergedOcc 0
19 mol 148 unq 0 iso 1 dist 5.86949 6.02506 8.01366 9.23896 8.49619 7.36601 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 5.84971 9.46439 8.69407 6.07854 8.04136 7.64589 numMergedOcc 0
21 mol 150 unq 0 iso 1 dist 5.84971 6.07854 8.04136 9.46439 8.69407 7.64589 numMergedOcc 0
22 mol 157 unq 0 iso 0 dist 6.66184 4.20542 5.332 8.40948 7.95661 5.28985 numMergedOcc 0
23 mol 157 unq 0 iso 1 dist 6.66184 8.40948 7.95661 4.20542 5.332 5.28985 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 6.6514 5.57495 8.23378 9.38297 12.2546 6.81449 numMergedOcc 0
25 mol 167 unq 0 iso 1 dist 6.6514 9.38297 12.2546 5.57495 8.23378 6.81449 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 7.33326 8.74572 14.0884 8.62441 11.0838 5.16452 numMergedOcc 0
27 mol 178 unq 0 iso 1 dist 7.33326 8.62441 11.0838 8.74572 14.0884 5.16452 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 9.0757 9.53656 13.9278 7.06562 11.2707 12.1403 numMergedOcc 0
29 mol 184 unq 0 iso 1 dist 9.0757 7.06562 11.2707 9.53656 13.9278 12.1403 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.00402 9.813 7.38256 6.63442 5.37778 12.3271 numMergedOcc 0
31 mol 279 unq 0 iso 1 dist 5.00402 6.63442 5.37778 9.813 7.38256 12.3271 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 9.84174 11.9492 10.9049 numMergedOcc 0
33 mol 284 unq 0 iso 1 dist 5.62295 9.84174 11.9492 6.52085 7.38786 10.9049 numMergedOcc 0
