0 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 20.3909 14.3929 9.77484 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.67129 14.1714 7.60283 18.0833 14.3929 9.77484 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 16.5552 13.4503 6.99408 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 4.5673 11.1279 9.62637 14.5871 10.6148 9.3403 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.23947 5.68492 9.32552 5.54343 6.21578 8.68586 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.23947 5.68492 9.32552 12.0432 11.4485 9.54144 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 5.79954 5.11416 8.70133 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.66506 13.1044 7.10439 12.8368 8.44406 5.64598 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.66506 13.1044 7.10439 10.4766 6.56633 4.65521 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.22889 6.26867 5.9249 5.49623 6.54837 7.87814 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 6.64915 5.79235 5.9249 11.8934 6.54837 7.87814 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 8.59105 5.5768 7.2268 6.8014 5.95671 7.51358 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 8.59105 5.5768 7.2268 11.835 7.93998 8.32298 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 8.59105 4.56692 8.31175 6.8014 5.95671 8.93296 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 10.2803 8.55834 5.81965 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.31426 9.81259 7.1539 6.30103 8.51055 7.06013 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.31426 9.81259 7.1539 14.2941 7.76866 9.70512 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 6.15654 7.31722 5.39745 10.9081 9.50382 5.81965 numMergedOcc 0
18 mol 92 unq 4 iso 0 dist 6.15654 7.31722 5.39745 14.063 11.3858 7.06013 numMergedOcc 0
19 mol 92 unq 5 iso 0 dist 6.15654 7.31722 5.39745 10.3582 7.56363 9.70512 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 16.3965 13.7032 6.73814 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.12854 6.34223 5.60389 12.1755 5.22052 6.99777 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.81731 5.80806 7.70313 12.2331 14.0688 7.76729 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.50264 5.43722 6.93279 13.6135 14.2198 8.94837 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.50264 5.43722 6.93279 9.56984 11.147 7.77454 numMergedOcc 0
25 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 12.7969 4.72839 7.93331 numMergedOcc 0
26 mol 173 unq 1 iso 0 dist 9.31172 8.94838 6.64779 14.545 8.07089 6.98095 numMergedOcc 0
27 mol 173 unq 2 iso 0 dist 9.31172 8.94838 6.64779 9.61566 5.70743 8.31897 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.79832 10.2578 5.4997 6.6776 8.29015 9.8589 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 8.79832 10.2578 5.4997 11.1815 4.63177 7.24908 numMergedOcc 0
30 mol 188 unq 0 iso 0 dist 6.20426 9.12244 9.33696 13.843 10.5721 6.90541 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.62583 5.52229 9.52615 6.095 6.00069 7.22914 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 9.29788 15.6651 9.58354 8.53729 5.78064 7.19465 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 9.50983 14.0411 9.58354 8.07341 5.78064 7.19465 numMergedOcc 0
34 mol 256 unq 0 iso 0 dist 9.65136 5.34142 7.48269 9.9381 5.28793 5.24676 numMergedOcc 0
35 mol 256 unq 1 iso 0 dist 9.65136 5.34142 7.48269 7.54586 10.134 8.09363 numMergedOcc 0
36 mol 256 unq 2 iso 0 dist 7.54955 8.04009 7.48269 8.43264 5.28793 5.24676 numMergedOcc 0
37 mol 256 unq 3 iso 0 dist 7.54955 8.04009 7.48269 14.7387 10.134 8.09363 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 4.87349 5.83318 6.61376 7.34344 4.50325 4.86729 numMergedOcc 0
