0 mol 13 unq 0 iso 0 dist 9.82341 7.27136 6.40447 8.67879 3.70313 8.31354 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.60128 8.24155 8.65495 7.66002 4.75628 11.2819 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.60128 8.24155 8.65495 6.83177 12.5276 8.76128 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 7.67558 7.33632 7.9193 9.25342 12.3432 5.86427 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91717 9.29746 9.06035 9.42102 5.93093 5.58111 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.09741 9.35806 6.34065 8.86576 4.77259 3.94942 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 8.09741 4.48773 6.81831 8.86576 4.77259 8.74347 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 8.43532 9.35806 8.79195 8.86576 11.5295 3.94942 numMergedOcc 0
8 mol 90 unq 3 iso 0 dist 8.43532 4.48773 6.48502 8.86576 11.5295 8.74347 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.2688 8.15461 7.1965 9.19159 10.6882 4.39503 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.94631 8.15461 8.58727 9.19159 10.31 4.39503 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 8.23863 9.27074 7.12328 6.80539 5.96553 5.46177 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 8.23863 9.27074 7.12328 7.43511 6.4248 8.7943 numMergedOcc 0
13 mol 126 unq 2 iso 0 dist 6.57757 9.27074 9.66737 6.80539 7.817 5.46177 numMergedOcc 0
14 mol 126 unq 3 iso 0 dist 6.57757 9.27074 9.66737 7.43511 5.11254 8.7943 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.69565 9.04346 11.4724 7.21359 10.1004 4.32169 numMergedOcc 0
16 mol 228 unq 0 iso 0 dist 7.4244 9.71708 5.37564 6.7413 4.33127 6.10078 numMergedOcc 0
17 mol 228 unq 1 iso 0 dist 7.19441 7.97993 5.52794 6.29099 4.60175 4.95664 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.27573 9.38925 5.48731 8.2419 10.4961 12.0244 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 6.27573 8.71717 9.38651 8.2419 10.4961 9.92035 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 6.33726 9.09307 7.8616 7.9542 5.59865 9.14989 numMergedOcc 0
