0 mol 26 unq 0 iso 0 dist 8.6112 9.63803 5.23054 10.5687 9.27369 6.07276 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.59131 6.07514 9.90656 7.10946 9.57818 6.21128 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.59131 6.07514 9.90656 5.28774 12.1743 9.57024 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.14996 7.57749 5.91159 6.70122 10.0685 5.43693 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.47718 8.55202 5.91159 10.7567 10.0685 5.43693 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 9.44364 9.47964 8.22454 11.8589 15.3316 9.0504 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.84249 4.77996 3.78964 6.43704 5.42828 6.11407 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.0455 8.09774 9.05571 6.15789 12.7577 6.34626 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.64946 9.76097 3.75291 5.92811 10.2391 9.94998 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 9.03955 8.85403 8.45835 3.98961 11.4903 9.10637 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.10223 5.06116 5.18463 9.10645 5.60184 8.71789 numMergedOcc 0
11 mol 154 unq 1 iso 0 dist 7.10223 5.06116 5.18463 4.02111 7.08477 5.2693 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 6.91762 7.25009 5.05961 8.61147 12.8574 9.16358 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 6.91762 7.25009 5.05961 5.45915 10.463 9.24038 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 4.10406 12.1714 9.85438 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 9.76722 7.30338 8.01699 4.10406 12.1714 9.42807 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 8.59783 6.51523 9.12839 4.98945 6.21194 7.47964 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 8.59783 6.76574 9.74745 4.47323 8.81813 5.74846 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 8.86439 8.76076 12.519 4.0207 11.884 8.48879 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 8.86439 4.36496 6.6569 4.0207 11.884 5.89591 numMergedOcc 0
20 mol 196 unq 2 iso 0 dist 8.86439 7.34995 5.29359 4.0207 11.884 9.72376 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.99496 9.99149 6.04066 11.7808 13.0845 9.82043 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.99496 9.99149 6.04066 10.2606 9.79196 8.22922 numMergedOcc 0
23 mol 225 unq 2 iso 0 dist 8.99496 9.27308 3.90755 11.3186 10.831 9.89167 numMergedOcc 0
24 mol 225 unq 3 iso 0 dist 8.31651 9.49163 8.51677 11.2979 12.0756 9.82043 numMergedOcc 0
25 mol 225 unq 4 iso 0 dist 8.31651 9.49163 8.51677 11.0488 13.2536 8.22922 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.35169 5.72473 10.0594 6.08322 12.578 8.62162 numMergedOcc 0
