0 mol 17 unq 0 iso 0 dist 7.41968 7.9118 6.77912 8.35273 10.1102 9.78953 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.7483 7.9118 4.67446 8.35273 9.31896 9.78953 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.74311 8.24316 12.5941 6.76158 4.50098 11.1346 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.74311 8.24316 12.5941 7.423 8.14695 10.8275 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 8.74311 8.24316 12.5941 5.89257 9.01546 7.90018 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.81779 7.49678 8.22614 9.29102 9.96223 10.1404 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.61052 8.82919 9.17514 4.74574 6.84869 9.25177 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 9.36203 6.31934 10.8346 8.1717 4.85685 7.31044 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.65864 7.52544 10.205 8.26805 14.3512 5.50078 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.65864 7.52544 10.205 9.68577 18.0887 11.6055 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.65864 8.08674 7.90785 8.26805 14.3512 11.6853 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 8.65864 8.08674 7.90785 9.68577 18.0887 15.0489 numMergedOcc 0
12 mol 76 unq 4 iso 0 dist 8.65864 8.33694 15.3489 8.26805 14.3512 4.94673 numMergedOcc 0
13 mol 76 unq 5 iso 0 dist 8.65864 8.33694 15.3489 9.68577 18.0887 5.78236 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.39198 7.64107 6.51973 9.70317 14.2669 13.6882 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.39198 7.53333 8.4153 9.70317 14.2669 9.02311 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 6.70803 7.64107 4.97273 9.70317 9.40781 13.6882 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 6.70803 7.53333 10.8341 9.70317 9.40781 9.02311 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 5.66981 7.88346 4.14823 5.24882 4.62104 5.08025 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 5.66981 9.6112 11.7354 6.91039 6.03327 7.33175 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.58058 7.17789 16.0789 8.94445 6.6281 14.3694 numMergedOcc 0
21 mol 211 unq 0 iso 0 dist 9.05403 7.49132 10.7664 7.78316 12.8384 9.54726 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 4.42722 8.17723 9.63307 7.39043 6.47265 5.05766 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 7.62034 6.25412 6.4737 8.32786 4.01942 5.50882 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 7.62034 6.25412 6.4737 5.09952 11.0805 7.27142 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.70984 5.50553 5.41409 8.86773 11.5209 6.4179 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.70984 5.50553 5.41409 8.95095 15.8746 11.4354 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.33388 8.92737 10.2832 7.33086 3.92892 8.0693 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 6.33388 8.92737 10.2832 7.88971 5.10042 9.57892 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 6.33388 8.92737 10.2832 6.82335 6.48913 10.0639 numMergedOcc 0
