0 mol 11 unq 0 iso 0 dist 6.49709 11.1196 6.40513 5.51815 4.61088 5.9863 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 6.86713 7.82029 8.26838 10.3731 9.03572 4.33346 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 6.86713 7.82029 8.26838 7.4052 8.83255 7.47119 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 6.86713 7.82029 8.26838 9.70895 8.03644 15.4217 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.85583 13.6213 9.43616 4.38646 7.71338 10.746 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 8.86938 14.3632 9.43616 4.9102 7.71338 10.746 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.84656 11.831 5.67862 10.879 6.37586 9.52819 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.84656 11.831 5.67862 16.7911 9.71307 12.4156 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 4.9155 11.831 7.97208 9.30817 6.54501 12.5576 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 4.9155 11.831 7.97208 10.879 6.49416 9.52819 numMergedOcc 0
10 mol 134 unq 4 iso 0 dist 8.49987 16.217 7.97208 6.47843 6.54501 12.5576 numMergedOcc 0
11 mol 134 unq 5 iso 0 dist 8.49987 16.217 7.97208 10.9399 6.49416 9.52819 numMergedOcc 0
12 mol 134 unq 6 iso 0 dist 9.42271 15.4806 7.97208 6.16353 6.54501 12.5576 numMergedOcc 0
13 mol 134 unq 7 iso 0 dist 9.42271 15.4806 7.97208 7.07625 6.49416 9.52819 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.73769 4.82452 5.30872 7.36837 5.99315 6.3915 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.53913 10.1351 7.83781 12.4033 9.87651 6.43506 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.27794 9.65882 9.07833 4.89429 9.09537 9.54619 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.77347 4.17694 7.45401 6.05728 7.54065 6.8549 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.67271 11.2733 7.63268 6.184 9.96154 7.63236 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.58471 10.4085 6.53736 10.3518 6.18308 11.5481 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 8.58471 9.24214 8.18851 10.3518 6.18308 8.72811 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.43611 8.09631 9.4835 11.2069 8.82096 14.5108 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.14644 6.4634 8.9077 12.2116 9.23153 10.6943 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.14644 6.4634 8.9077 12.2916 8.24498 15.396 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.02527 5.36501 9.98232 6.68357 7.37839 10.9863 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 6.02527 5.36501 9.98232 7.6832 8.40182 10.2117 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.57253 13.2803 7.47238 9.29407 8.27212 10.134 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.77925 12.9448 9.97357 6.59536 8.03456 8.3919 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 5.77925 12.9448 9.97357 8.93012 6.84306 4.88785 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 5.77925 12.9448 9.97357 12.1686 9.99038 10.2557 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 5.77925 12.9448 9.97357 5.48757 9.78037 14.6755 numMergedOcc 0
31 mol 236 unq 4 iso 0 dist 5.77925 12.9448 9.97357 10.5925 8.35971 16.5918 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.38315 10.118 7.80525 10.6994 7.32223 4.84708 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.2067 9.6667 7.9357 9.88911 6.42289 8.73372 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 9.2067 15.6893 8.81059 9.88911 6.42289 9.78068 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 8.49415 13.5795 7.54805 4.05162 8.4218 12.5953 numMergedOcc 0
