0 mol 29 unq 0 iso 0 dist 9.39717 8.00338 5.99096 4.80937 10.5673 6.80828 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.98414 8.35776 10.8132 5.87258 13.5001 8.70331 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.46918 7.40983 6.53944 7.67811 13.7035 8.79886 numMergedOcc 0
3 mol 96 unq 1 iso 0 dist 7.64681 7.40983 7.86339 7.67811 9.46568 8.79886 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 8.92347 4.99934 8.49625 11.7698 13.4265 7.2168 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.27601 8.18356 3.67473 6.20949 4.86767 7.4113 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 7.27601 8.18356 3.67473 15.013 12.0984 8.53631 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 6.50614 6.84006 4.26413 4.30031 5.12002 7.06763 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 9.2903 6.84006 3.64386 4.30031 8.46914 7.06763 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 9.29305 8.02114 4.26413 8.74749 5.12002 7.06763 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.96031 7.82717 14.0517 8.15466 16.9726 6.97766 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.96031 8.19926 16.0263 8.15466 16.9726 4.79423 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.96031 9.02402 4.4787 10.5408 9.2802 8.0943 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 9.58736 9.28442 6.18551 16.2737 13.1215 9.13587 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 11.9253 5.4455 7.56217 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 6.7021 4.15692 3.99887 10.2256 10.4743 9.09279 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 9.5789 9.12546 3.96862 11.3284 12.0904 8.23073 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 9.34175 8.71617 3.96862 10.5994 12.0904 8.23073 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 9.88921 7.08918 6.85669 11.9608 8.86801 9.30035 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 9.88921 7.08918 6.85669 8.8375 7.15093 9.51185 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 9.95662 5.06373 9.94624 10.1082 4.87349 8.2236 numMergedOcc 0
