0 mol 45 unq 0 iso 0 dist 7.84098 6.4953 6.34173 10.2221 9.33906 6.00679 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.66351 9.26101 8.09058 3.90309 9.17838 8.47849 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.56608 10.0513 8.09058 8.6576 9.17838 8.47849 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.66127 13.598 8.09058 11.2861 9.17838 8.47849 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.51073 8.14115 7.13087 3.62293 8.72682 10.1413 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.51073 8.14115 7.13087 11.761 6.45841 7.79034 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.51073 8.14115 7.13087 10.4675 5.61588 8.97361 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.51073 8.14115 7.13087 7.259 7.83244 10.2983 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.995 3.99978 7.13087 12.6495 8.72682 10.1413 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.995 3.99978 7.13087 5.44134 6.45841 7.79034 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 7.995 3.99978 7.13087 7.92447 5.61588 8.97361 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 7.995 3.99978 7.13087 10.8799 7.83244 10.2983 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 7.10826 14.7989 8.70133 13.5663 9.73086 6.15714 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.66368 8.22938 7.96555 3.66736 7.13008 10.6094 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 4.86758 13.5255 8.72704 7.87099 7.82475 12.5061 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 4.86758 13.5255 8.72704 4.84558 5.35782 12.1093 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 8.08241 10.0618 6.62561 3.64027 6.10127 6.95589 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 7.41216 4.18391 6.03703 9.73119 6.89918 6.545 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.91541 13.2417 9.52634 11.597 9.63417 4.14392 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.44476 13.3708 6.0965 14.1353 8.21793 4.31175 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 8.44476 13.4229 9.59129 14.1353 8.21793 4.89372 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 7.89177 4.97303 9.454 6.85412 9.9182 8.68456 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 7.89177 4.97303 9.454 10.0482 8.9221 7.29981 numMergedOcc 0
23 mol 292 unq 2 iso 0 dist 8.30524 9.61327 9.454 7.45247 9.9182 8.68456 numMergedOcc 0
24 mol 292 unq 3 iso 0 dist 8.30524 9.61327 9.454 13.2282 8.9221 7.29981 numMergedOcc 0
