0 mol 5 unq 0 iso 0 dist 5.63583 6.46284 9.59917 7.62938 8.41594 5.31713 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.17979 9.00899 11.4319 5.03451 4.96019 10.3665 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.17979 7.826 5.69898 5.03451 4.96019 3.17053 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 9.48375 9.40953 17.1356 8.16102 16.7495 3.21417 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 9.48375 9.57896 16.6725 8.16102 16.7495 4.96577 numMergedOcc 0
5 mol 27 unq 2 iso 0 dist 6.85127 9.40953 12.1419 8.16102 12.314 3.21417 numMergedOcc 0
6 mol 27 unq 3 iso 0 dist 6.85127 9.57896 12.5927 8.16102 12.314 4.96577 numMergedOcc 0
7 mol 27 unq 4 iso 0 dist 8.58169 9.40953 5.68274 8.16102 6.16154 3.21417 numMergedOcc 0
8 mol 27 unq 5 iso 0 dist 8.58169 9.57896 5.5733 8.16102 6.16154 4.96577 numMergedOcc 0
9 mol 36 unq 0 iso 0 dist 4.10339 6.1084 9.13645 6.6055 6.03866 10.5994 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.30392 5.92285 10.9045 6.42645 13.0684 5.98227 numMergedOcc 0
11 mol 62 unq 1 iso 0 dist 7.30392 8.38687 15.6343 6.42645 13.0684 5.87787 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 8.20839 6.22498 3.83791 7.07055 6.65401 3.78604 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 5.72494 9.43076 4.78648 7.85115 11.4876 14.3087 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 8.70106 9.43076 10.6434 7.85115 11.2795 14.3087 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 8.60157 9.8506 16.0449 7.91749 3.54257 13.5156 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 6.72591 9.8506 8.01366 7.91749 8.03052 13.5156 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.59359 9.91991 16.1293 7.96309 3.59609 13.6094 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 6.80192 9.91991 8.04136 7.96309 8.06512 13.6094 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.45502 6.22696 7.41724 4.80508 7.82494 5.09517 numMergedOcc 0
20 mol 158 unq 1 iso 0 dist 6.45502 6.22696 7.41724 4.88625 5.34159 6.2149 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.6514 5.57495 8.23378 8.87575 11.6251 9.5716 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 6.6514 9.38297 12.2546 8.87575 11.6251 15.8939 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 9.58783 4.68544 13.7197 8.1953 16.4635 8.60565 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 9.58783 4.68544 13.7197 8.16253 17.6725 5.62227 numMergedOcc 0
25 mol 182 unq 0 iso 0 dist 7.03216 8.45614 12.8965 8.43599 5.28013 12.3855 numMergedOcc 0
26 mol 182 unq 1 iso 0 dist 9.42196 8.45614 13.9118 8.43599 5.89583 12.3855 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 9.0757 9.53656 13.9278 9.35481 16.095 14.4056 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 9.0757 9.53656 13.9278 9.11936 7.551 15.3702 numMergedOcc 0
29 mol 184 unq 2 iso 0 dist 9.0757 9.53656 13.9278 8.20517 4.75805 9.99712 numMergedOcc 0
30 mol 184 unq 3 iso 0 dist 9.0757 7.06562 11.2707 9.35481 16.095 5.54499 numMergedOcc 0
31 mol 184 unq 4 iso 0 dist 9.0757 7.06562 11.2707 9.11936 7.551 6.15375 numMergedOcc 0
32 mol 184 unq 5 iso 0 dist 9.0757 7.06562 11.2707 8.20517 4.75805 9.56022 numMergedOcc 0
33 mol 184 unq 6 iso 0 dist 7.51045 8.32647 14.7937 6.03505 4.75805 11.1533 numMergedOcc 0
34 mol 184 unq 7 iso 0 dist 7.51045 8.32647 14.7937 6.30144 11.6574 3.74437 numMergedOcc 0
35 mol 198 unq 0 iso 0 dist 7.91967 9.42723 8.69902 6.49746 5.46544 3.70259 numMergedOcc 0
36 mol 198 unq 1 iso 0 dist 7.91967 9.42723 8.69902 5.8917 6.14119 5.13258 numMergedOcc 0
37 mol 198 unq 2 iso 0 dist 7.83611 8.37455 9.62353 7.48253 11.4181 3.4601 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 5.12798 8.02723 4.47554 9.22105 6.23176 9.08285 numMergedOcc 0
39 mol 214 unq 1 iso 0 dist 9.66533 8.70011 10.0389 7.81831 6.49466 3.64285 numMergedOcc 0
40 mol 233 unq 0 iso 0 dist 7.5099 9.28828 7.79921 9.63067 9.59315 3.32222 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 4.69611 8.4652 6.53775 numMergedOcc 0
42 mol 284 unq 1 iso 0 dist 5.62295 9.84174 11.9492 4.69611 8.4652 13.4014 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 4.66252 7.74312 10.6613 8.08382 12.1302 3.66473 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 4.66252 7.74312 10.6613 8.08382 12.1302 3.66473 numMergedOcc 0
45 mol 289 unq 0 iso 0 dist 4.66252 7.74312 10.6613 8.08382 12.1302 3.66473 numMergedOcc 0
