0 mol 19 unq 0 iso 0 dist 8.82056 7.19365 7.48847 9.4457 6.42867 6.39966 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.34549 14.0065 8.44506 16.1491 10.9837 9.5053 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.09068 8.26538 8.44506 15.0704 10.9837 9.5053 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.72289 10.9934 8.44506 18.612 10.9837 9.5053 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.63534 7.28582 4.79949 8.23534 4.3931 6.66954 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.63534 8.88157 7.27693 9.2958 6.45686 9.75201 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.10877 3.74136 9.4523 7.29701 10.3849 7.62611 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 6.19867 9.3456 5.92032 10.0967 5.04559 7.3964 numMergedOcc 0
8 mol 96 unq 1 iso 0 dist 8.35452 5.93362 5.92032 11.9822 5.04559 7.3964 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 4.31067 10.2492 7.26086 8.33845 7.06961 8.43352 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 8.20009 15.3512 8.93905 16.3039 8.2619 6.03352 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 8.14799 14.3305 8.93905 15.8846 8.2619 6.03352 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.47346 5.75556 8.03372 10.3572 4.55551 9.94578 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.23551 5.78019 6.28351 6.6094 5.50251 7.25644 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 7.4653 5.88056 5.49226 12.6767 11.1681 7.25644 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.03632 4.19444 7.88319 10.1408 6.4079 6.76055 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 9.03632 4.19444 7.88319 10.0208 4.25067 9.36343 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.15963 4.41466 6.51749 5.87853 5.6044 7.11785 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.16369 12.1694 7.24795 15.1522 7.30024 7.46987 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.09426 13.9257 9.83476 16.2643 10.5063 4.5271 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 7.09426 13.9257 9.83476 18.5171 14.4429 7.02575 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.20646 8.75405 6.85441 10.6991 5.86489 5.91727 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.73266 7.32929 6.85441 9.639 5.86489 5.91727 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.04106 10.0849 5.60393 19.2182 14.4523 9.17946 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 9.85348 10.6818 5.76954 16.9762 7.84019 8.3087 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 9.85348 12.85 6.29511 16.9762 7.84019 9.32945 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.86979 15.3582 7.77998 15.5271 5.78064 8.15091 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.31858 11.0804 7.99477 18.3143 13.2927 9.91199 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 6.70123 5.16567 6.57903 11.2514 6.28695 7.85414 numMergedOcc 0
