0 mol 0 unq 0 iso 0 dist 9.13704 6.28506 8.0454 6.06455 9.1936 9.85624 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.90644 8.07981 15.098 6.01633 7.76205 9.80233 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.4398 5.71245 6.24786 13.7155 7.65918 13.411 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.24022 5.71245 6.21692 3.38988 7.37634 7.26165 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.79578 6.35249 12.6047 5.15508 6.6367 11.1422 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.88001 9.073 5.16912 11.023 4.9983 8.18214 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.30739 9.34288 5.10938 11.2122 5.38363 5.75135 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 8.35292 9.2794 9.18888 5.00416 8.86253 13.523 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 4.86511 9.91797 7.37194 10.4666 9.87737 17.0729 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 4.86511 9.91797 7.37194 7.63128 6.7303 14.0756 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39344 9.60134 6.61758 4.05022 5.98764 11.8856 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.35254 8.03407 6.69503 5.09234 9.17505 13.1026 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 5.35254 6.39759 7.80674 5.09234 9.17505 10.9904 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 7.45209 9.89353 4.84407 14.7221 8.6356 11.8578 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 7.61296 7.92498 10.3661 5.70681 6.36631 11.0815 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 7.61296 7.92498 10.3661 5.08157 6.24308 11.8871 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 7.61296 7.92498 10.3661 8.98416 6.66182 12.0736 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.28543 8.51112 11.4657 5.77195 9.48763 14.2187 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.56851 6.32064 10.7235 13.952 8.47283 17.8611 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 9.56851 5.29176 10.0944 13.952 8.47283 16.5874 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 7.71388 9.13327 11.6898 10.4268 9.064 18.6236 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 9.08448 6.91126 9.49863 14.6217 7.8548 15.4436 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 9.08448 9.48967 18.5642 14.6217 7.8548 23.2915 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.05376 5.41373 4.64969 5.08672 9.33393 9.60976 numMergedOcc 0
