0 mol 26 unq 0 iso 0 dist 9.15677 12.1626 9.7522 15.7188 6.73162 11.7823 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 7.53125 9.7522 7.95969 6.73162 11.7823 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 7.15141 11.0298 7.14232 6.1939 7.00648 5.9818 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 5.59128 5.02241 8.98505 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 5.74095 6.65344 10.9894 6.71911 10.4897 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.97292 6.00486 6.65344 9.55542 6.71911 10.4897 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.28737 5.37389 8.58841 8.66353 8.97793 10.5948 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.28737 5.37389 8.58841 12.2209 8.19682 13.8628 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.26032 4.4104 8.88225 11.9674 7.79359 14.1743 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 7.26032 9.78656 9.49308 11.9674 7.79359 12.091 numMergedOcc 0
10 mol 86 unq 2 iso 0 dist 5.49793 9.86291 8.88225 4.51657 7.79359 14.1743 numMergedOcc 0
11 mol 86 unq 3 iso 0 dist 5.49793 9.22136 9.49308 4.51657 7.79359 12.091 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 8.14907 4.65448 4.44292 7.79621 7.39644 4.40049 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 8.14907 4.65448 4.44292 6.3186 7.70572 6.61119 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 4.96326 12.148 7.30954 12.8521 8.61331 4.20839 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 9.09976 12.0324 7.30954 10.9728 8.61331 4.20839 numMergedOcc 0
16 mol 176 unq 2 iso 0 dist 9.73567 10.5247 7.30954 7.46138 8.61331 4.20839 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 7.68247 6.54244 9.36086 4.8403 9.27478 5.94354 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.36642 7.49505 5.96555 7.13867 9.19704 12.5517 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.77104 12.1 7.88794 9.7466 6.68292 4.23514 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 6.77104 12.1 7.88794 5.52154 4.26212 6.58235 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 8.77336 6.97182 6.09245 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 6.83122 6.06185 9.51764 10.8541 6.1175 10.8345 numMergedOcc 0
23 mol 214 unq 2 iso 0 dist 6.83122 12.1024 5.36829 8.77336 6.97182 8.69149 numMergedOcc 0
24 mol 214 unq 3 iso 0 dist 6.83122 12.1024 5.36829 10.8541 6.1175 6.00706 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 5.52981 7.26513 8.5119 10.2333 7.18041 9.20149 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 5.52981 7.26513 8.5119 6.48676 7.17547 11.711 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.82174 11.6082 6.24928 12.5765 6.91569 6.66018 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 5.63238 8.83735 10.4294 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 6.42827 6.09915 8.94023 5.63238 8.83735 9.10124 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 10.6548 7.19465 11.889 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 5.76077 4.58695 7.15815 10.6548 7.19465 8.75798 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 7.0247 12.6079 5.89502 3.494 7.19465 11.889 numMergedOcc 0
33 mol 253 unq 3 iso 0 dist 7.0247 11.088 7.15815 3.494 7.19465 8.75798 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 4.96568 9.37522 9.772 6.67645 6.34034 5.55314 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.27588 12.8888 8.59986 10.1704 9.02188 10.0609 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 7.22438 7.51377 9.96394 6.68919 6.73206 5.98845 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 6.8133 9.02523 9.6898 8.10093 9.454 13.2729 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 6.8133 9.57206 5.75596 8.10093 9.454 6.58789 numMergedOcc 0
39 mol 293 unq 0 iso 0 dist 8.90008 12.4441 6.27435 11.8919 8.56847 4.37303 numMergedOcc 0
