0 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 12.5031 17.7956 9.25649 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.88695 6.66387 9.16962 10.5586 15.23 9.36104 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 14.311 11.0355 7.93481 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.99155 3.94075 8.96501 5.23115 4.79817 4.79413 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 15.3009 9.12189 9.48876 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 10.2808 8.89062 7.54496 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 7.86269 8.89062 7.54496 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 7.86269 10.1287 7.54496 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 4.98864 5.46352 6.99777 11.2871 7.3094 9.9928 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 7.95871 10.3995 6.99777 14.361 7.3094 9.9928 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 12.0395 4.91594 9.05798 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 10.1992 9.3046 5.85818 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 5.49877 6.53156 6.89257 7.39532 5.97111 6.42785 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 5.49877 6.53156 6.89257 6.62468 6.97875 6.82089 numMergedOcc 0
14 mol 130 unq 2 iso 0 dist 5.49877 4.72188 8.74308 6.62468 6.97875 5.38314 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.86531 5.80615 7.92688 7.34386 8.6769 9.4062 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 16.093 9.92777 5.49808 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.84952 10.9006 7.37327 16.093 9.92777 7.96291 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.96555 12.5517 9.19704 10.9372 5.54129 9.83885 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 5.96555 12.5517 9.19704 10.6084 5.28092 5.42696 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.88794 6.58235 4.26212 13.2695 5.90341 7.78247 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 7.88794 6.58235 4.26212 8.91912 5.84474 7.37935 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 8.5119 9.20149 7.18041 13.0516 5.7776 6.86795 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 8.5119 9.20149 7.18041 10.6094 5.282 6.23898 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 8.5119 11.711 7.17547 18.5568 10.3246 9.67381 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 8.5119 11.711 7.17547 13.0516 5.7776 6.61099 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 21.9326 15.0089 9.31673 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 7.08539 4.28284 9.58736 11.7217 15.0089 9.31673 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.13537 6.16476 5.38637 12.3 11.1167 8.6597 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.66555 8.92175 7.49471 9.81362 13.0113 6.89694 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 9.66555 8.92175 7.49471 15.1827 10.216 6.44735 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 8.67205 5.94371 7.49471 9.37244 13.0113 6.89694 numMergedOcc 0
32 mol 238 unq 4 iso 0 dist 8.67205 5.94371 7.49471 12.1317 10.216 6.44735 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 9.30428 7.31951 6.39918 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 8.43858 15.8008 9.5784 16.7186 8.45726 6.5422 numMergedOcc 0
