0 mol 73 unq 0 iso 0 dist 9.90493 15.2445 9.23755 14.6054 7.58027 10.3397 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.90493 15.2445 9.23755 13.0783 4.34694 8.31117 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 6.81208 11.6691 9.60797 5.88758 8.51572 10.1305 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 6.81208 6.27681 6.88033 5.88758 8.51572 4.81647 numMergedOcc 0
4 mol 168 unq 0 iso 0 dist 8.67673 13.5736 9.5214 11.2923 8.72323 4.12631 numMergedOcc 0
5 mol 168 unq 1 iso 0 dist 9.47649 11.2764 9.5214 10.5631 8.72323 4.12631 numMergedOcc 0
6 mol 168 unq 2 iso 0 dist 7.49987 8.09588 9.5214 10.4692 8.72323 4.12631 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 6.50817 5.35728 8.21538 5.50304 8.85111 6.04551 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 9.30822 5.35728 5.63632 5.50304 6.38335 6.04551 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 8.41071 5.38534 9.32133 5.9949 6.62514 9.09362 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 8.23488 11.7403 6.58174 5.9949 6.20044 10.9794 numMergedOcc 0
11 mol 204 unq 2 iso 0 dist 8.23488 11.7403 6.58174 6.54183 8.41232 9.00243 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.98049 12.0583 7.24175 6.31616 5.86911 11.0439 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.98049 12.0583 7.24175 6.63676 7.89258 8.85251 numMergedOcc 0
14 mol 245 unq 0 iso 0 dist 5.89008 10.4403 8.03294 13.0831 9.96585 8.2332 numMergedOcc 0
15 mol 245 unq 1 iso 0 dist 5.89008 10.4403 8.03294 9.19721 7.27022 9.39435 numMergedOcc 0
16 mol 245 unq 2 iso 0 dist 5.89008 10.4403 8.03294 8.32896 7.95061 15.5115 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 9.15342 12.1238 7.29081 6.51811 5.78262 12.2394 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 9.15342 12.1238 7.29081 5.44978 7.6489 7.5139 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 6.71883 10.8396 4.49395 11.5198 7.872 9.47966 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 6.71883 10.8396 4.49395 12.0722 6.32984 6.49869 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.2745 6.33623 4.98604 9.95788 6.45597 5.51191 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.2745 6.33623 4.98604 9.95788 6.45597 5.51191 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.2745 6.33623 4.98604 9.95788 6.45597 5.51191 numMergedOcc 0
