0 mol 9 unq 0 iso 0 dist 7.84963 13.0985 8.59513 13.5235 13.4295 8.48677 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 14.3284 10.7048 6.35398 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.79911 10.5851 6.93597 15.9016 9.76111 9.01567 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.6586 12.1061 7.85986 9.54519 6.7846 8.4051 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.6586 12.1061 7.85986 18.501 13.7992 7.29868 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.6586 12.1061 7.85986 12.511 13.2846 8.60554 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.35779 7.46975 8.21895 14.3699 14.3608 7.56205 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 6.35779 7.46975 8.21895 8.1599 5.9487 4.74544 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.48163 4.00884 6.89071 9.28057 12.2908 5.9465 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.48163 4.00884 6.89071 10.3713 13.6054 6.97962 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 5.48163 4.00884 6.89071 12.5277 11.2746 9.95342 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 7.7399 4.1125 6.89071 8.4545 12.2908 5.9465 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 7.7399 4.1125 6.89071 7.01176 13.6054 6.97962 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 7.7399 4.1125 6.89071 11.7125 11.2746 9.95342 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 6.67863 5.08458 9.44645 5.22543 6.2696 6.98314 numMergedOcc 0
15 mol 101 unq 1 iso 0 dist 6.67863 5.08458 9.44645 9.96707 10.1773 7.61685 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 7.39028 9.74143 5.54226 8.35636 4.56372 7.02927 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.86767 9.01097 5.35711 8.89481 13.0914 9.66219 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.93106 9.8725 8.98175 14.1931 10.3933 6.28565 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 7.04904 7.03404 8.98175 6.38163 10.3933 6.28565 numMergedOcc 0
20 mol 151 unq 0 iso 0 dist 9.58685 3.95051 8.1948 9.20597 6.93455 5.93692 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 6.48066 6.62718 6.12453 13.3351 12.7437 7.44629 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 8.47543 16.5533 9.87447 22.5247 14.4866 7.44629 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 8.17301 5.18154 9.20617 10.6635 11.618 8.90963 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 8.85223 5.15888 8.34477 11.4309 8.02684 7.14503 numMergedOcc 0
25 mol 188 unq 1 iso 0 dist 8.85223 12.1341 8.4784 11.4309 8.02684 8.10214 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 8.87165 4.8012 5.59832 8.87534 6.49049 6.03688 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.82099 4.32578 7.26232 9.49136 4.67058 6.36341 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.82099 4.32578 7.26232 10.127 10.28 6.21292 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 9.82099 4.32578 7.26232 12.4271 13.783 9.21736 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 8.49869 4.85571 8.73192 9.10633 4.07839 7.89524 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 5.16859 4.38246 6.10489 7.65388 9.54706 5.50492 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 4.79207 4.38246 4.4204 7.65388 4.06591 5.50492 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 9.82713 5.15747 8.09181 12.6706 12.5154 8.52587 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 9.82713 5.15747 8.09181 6.55855 4.60007 6.39866 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 9.22665 10.1117 9.47429 13.1682 4.51188 9.76787 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 9.84708 12.9357 9.47429 13.0794 4.51188 9.76787 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 8.85506 7.1944 5.91617 12.9938 7.22011 7.07965 numMergedOcc 0
