0 mol 28 unq 0 iso 0 dist 6.53312 5.06086 7.10923 6.62508 7.77448 4.11841 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.85282 6.93243 3.54604 5.6359 5.46563 8.86183 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.25884 5.58724 11.0834 7.29121 10.3688 4.04114 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.25884 5.58724 11.0834 8.35847 12.639 6.13506 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.19959 4.82824 4.77769 8.85892 3.37815 7.31451 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.18358 7.52639 9.09552 7.56 3.80156 6.13696 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 8.61918 7.85513 4.44253 9.50607 6.30259 3.29432 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 8.30819 6.07578 12.3288 5.98495 9.74745 3.4213 numMergedOcc 0
8 mol 196 unq 0 iso 0 dist 8.09572 6.23804 8.23098 9.95371 8.10268 9.70908 numMergedOcc 0
9 mol 196 unq 1 iso 0 dist 8.09572 6.66019 7.24985 9.95371 8.10268 5.72185 numMergedOcc 0
10 mol 196 unq 2 iso 0 dist 8.09572 9.88671 15.4354 9.95371 8.10268 12.8098 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.05227 8.49016 13.4823 5.65314 10.9673 3.57029 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.78004 8.11191 7.43067 9.9922 15.6572 9.4654 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.26569 6.24316 7.33963 8.52022 6.58887 3.89086 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.50591 6.24316 3.76066 8.52022 4.8632 3.89086 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 8.17234 5.82844 10.8457 9.69367 3.72432 10.3407 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.15743 7.68603 4.30202 7.13253 6.54593 3.42966 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 6.5095 7.37305 3.75014 5.91328 6.75573 4.32114 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 6.5095 7.37305 3.75014 6.02146 7.64134 5.79838 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 5.1766 7.37305 8.85393 5.91328 8.61196 4.32114 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 5.1766 7.37305 8.85393 6.02146 10.4256 5.79838 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.01177 8.16181 4.28835 9.86407 16.4224 16.2481 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 9.15686 8.16181 11.8501 9.86407 8.19502 16.2481 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 6.62637 7.7975 6.1174 9.6012 12.2628 15.1111 numMergedOcc 0
