0 mol 1 unq 0 iso 0 dist 6.06669 9.60615 7.28542 13.5153 8.69605 12.6842 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.44478 8.79013 5.03514 5.70264 8.15864 8.18139 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.83248 9.4658 7.20713 10.3387 8.84944 6.57633 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 5.75102 5.21993 7.82219 12.2856 8.92529 15.9398 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 8.80254 5.73879 7.82219 14.1584 8.92529 15.9398 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.72494 9.43076 4.78648 5.40051 7.66418 12.2218 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 8.70106 9.43076 10.6434 5.40051 8.078 12.2218 numMergedOcc 0
7 mol 103 unq 2 iso 0 dist 8.70106 9.43076 10.6434 14.0531 6.56481 17.0972 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.15982 6.68983 5.33859 11.2753 6.54778 8.40389 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 6.78551 7.34585 9.61656 11.7558 8.9864 17.3913 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 9.18988 10.4469 8.28232 7.18976 14.3191 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.48833 7.11486 6.57177 14.3839 9.52061 13.9579 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.46578 8.64976 4.97581 10.008 8.76088 12.7121 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.46578 9.52159 7.96289 10.008 8.76088 16.6625 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 5.86949 9.23896 8.49619 12.2411 9.18753 17.6658 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 5.86949 6.02506 8.01366 12.2411 9.18753 15.4666 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 8.60157 9.8506 16.0449 6.76353 8.6953 15.4666 numMergedOcc 0
17 mol 148 unq 3 iso 0 dist 6.72591 9.8506 8.01366 6.76353 9.18753 15.4666 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 5.84971 9.46439 8.69407 12.1573 9.15244 17.8278 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 5.84971 6.07854 8.04136 12.1573 9.15244 15.4042 numMergedOcc 0
20 mol 150 unq 2 iso 0 dist 8.59359 9.91991 16.1293 6.65519 8.65967 15.4042 numMergedOcc 0
21 mol 150 unq 3 iso 0 dist 6.80192 9.91991 8.04136 6.65519 9.15244 15.4042 numMergedOcc 0
22 mol 157 unq 0 iso 0 dist 6.66184 4.20542 5.332 7.20013 6.8976 8.9078 numMergedOcc 0
23 mol 157 unq 1 iso 0 dist 6.66184 8.40948 7.95661 7.20013 6.8976 10.2704 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.45502 6.22696 7.41724 13.5755 9.38856 16.7053 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 6.6514 5.57495 8.23378 8.3419 7.20545 13.1213 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 6.6514 9.38297 12.2546 8.3419 7.20545 16.1368 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 9.58783 4.68544 13.7197 11.4343 9.11481 15.9581 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 7.03216 8.45614 12.8965 4.60682 8.27913 12.7488 numMergedOcc 0
29 mol 182 unq 1 iso 0 dist 9.42196 8.45614 13.9118 4.60682 8.85111 12.7488 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 7.91967 9.42723 8.69902 9.72265 9.87574 9.40433 numMergedOcc 0
31 mol 198 unq 1 iso 0 dist 7.83611 8.37455 9.62353 17.1351 9.87574 18.9724 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 9.66533 8.70011 10.0389 13.587 4.36421 14.1246 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.49732 7.8428 6.51653 14.4507 8.54422 14.031 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.49732 7.8428 6.51653 10.4459 7.67473 12.3498 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 10.8669 7.74965 14.332 numMergedOcc 0
36 mol 284 unq 1 iso 0 dist 5.62295 9.84174 11.9492 10.8669 7.74965 13.0377 numMergedOcc 0
