0 mol 0 unq 0 iso 0 dist 9.16606 6.94181 5.85361 5.98788 13.0422 12.6486 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.59376 7.53042 7.12759 8.94022 4.70333 6.10646 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.18794 7.53042 4.43881 8.94022 5.88946 6.10646 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.86053 5.00126 8.20173 9.70029 14.0851 7.401 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.76925 5.00126 8.11238 9.70029 6.8989 7.401 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.29755 6.54183 5.58127 9.57335 9.58891 4.15717 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.29755 6.54183 5.58127 8.60653 11.1253 5.99981 numMergedOcc 0
7 mol 54 unq 2 iso 0 dist 7.4038 6.54183 5.54544 9.57335 7.573 4.15717 numMergedOcc 0
8 mol 54 unq 3 iso 0 dist 7.4038 6.54183 5.54544 8.60653 10.063 5.99981 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 7.77128 9.70415 16.1373 5.67362 5.04866 13.5488 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 9.25638 8.70949 12.5944 9.67641 10.4188 13.6485 numMergedOcc 0
11 mol 67 unq 1 iso 0 dist 8.01856 8.70949 13.0612 9.67641 6.56501 13.6485 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.225 8.41567 6.80777 4.73362 4.98309 4.85247 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 9.225 8.41567 6.80777 9.61367 10.7367 12.7241 numMergedOcc 0
14 mol 76 unq 2 iso 0 dist 9.225 5.56964 9.95835 4.73362 4.98309 6.45686 numMergedOcc 0
15 mol 76 unq 3 iso 0 dist 9.225 5.56964 9.95835 9.61367 10.7367 4.3931 numMergedOcc 0
16 mol 76 unq 4 iso 0 dist 5.37449 6.62246 4.80624 7.3795 7.75939 4.85247 numMergedOcc 0
17 mol 76 unq 5 iso 0 dist 9.52666 6.62246 6.80777 7.3795 4.98309 4.85247 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.88143 5.85841 4.04716 6.04768 12.9271 11.3905 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 7.88143 7.00285 13.0429 6.04768 12.9271 4.67519 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.62952 5.85841 4.75433 6.04768 12.2431 11.3905 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 6.62952 7.00285 11.5098 6.04768 12.2431 4.67519 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 4.3521 6.78839 4.75433 9.40173 12.2431 11.3905 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 4.3521 8.02354 11.5098 9.40173 12.2431 4.67519 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 5.26536 8.05602 12.5137 8.31266 5.36591 15.089 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 5.26536 8.05602 12.5137 8.51459 7.7159 13.8849 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 6.71099 5.0625 6.2188 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 6.71099 4.86592 6.2188 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 8.52162 4.04422 8.1195 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.77828 8.96639 10.5857 8.52162 4.04422 13.49 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 8.00841 8.98668 12.7003 9.14228 9.30696 4.90279 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.92947 5.98967 4.85574 9.31961 9.96775 7.7384 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.40125 7.07459 12.8864 7.88238 11.8 9.87336 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 9.55885 12.6793 14.1713 numMergedOcc 0
