0 mol 39 unq 0 iso 0 dist 9.81466 5.75355 6.78285 4.64579 12.1417 9.04819 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.38082 7.78346 7.6174 4.91565 9.92196 9.04819 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 4.87423 8.72533 10.1334 11.3465 15.1398 8.44181 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 4.76283 9.14345 10.1334 11.7544 15.1398 8.44181 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 7.75237 8.72533 8.8528 11.3465 14.1915 8.44181 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 6.14241 7.59354 4.96613 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.2491 6.04768 7.43547 6.14241 10.0393 4.96613 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 3.59451 9.40173 7.43547 10.8152 10.0393 4.96613 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.07096 8.05937 6.4025 4.92027 8.09095 6.13508 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.29439 9.21645 5.8134 5.94065 9.22776 5.58734 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 8.28869 9.70695 5.96506 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.47989 6.00295 4.78734 4.67196 9.71839 8.60394 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 9.04176 6.40435 5.0315 13.5806 12.7707 9.6281 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 9.04176 6.40435 5.0315 4.87536 8.24004 6.22667 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 7.6956 8.68243 6.03252 5.82716 11.746 9.57242 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 11.0161 12.8602 9.05637 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.59565 9.69753 4.33786 17.2834 13.2323 9.9144 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 7.8316 6.74625 7.03654 12.2457 12.6162 9.9144 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 9.96759 6.74625 4.33786 12.2457 13.2323 9.9144 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 16.1524 13.042 9.61639 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 9.8995 8.80866 5.35196 8.02302 11.7305 8.53033 numMergedOcc 0
