0 mol 21 unq 0 iso 0 dist 8.7443 5.38502 5.92388 14.2035 9.35064 8.82295 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.56722 4.2863 7.7871 7.04267 8.79638 6.94749 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.56722 4.2863 7.7871 5.48811 6.42785 7.04268 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.56722 4.2863 7.7871 9.52052 5.75809 6.5776 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 5.78231 8.7845 8.70331 6.39966 6.89423 13.9733 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 9.41538 11.8855 8.70331 10.5977 6.89423 13.9733 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 6.32052 4.2096 4.07334 10.2809 8.5893 11.5018 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 6.32052 4.2096 4.07334 10.4334 8.22608 7.04664 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.72036 10.5856 8.81562 6.66552 7.80117 5.88097 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.72036 10.5856 8.81562 14.2962 9.79386 6.06265 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.16745 7.90858 7.02693 4.33482 5.7576 6.13631 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.16745 12.4166 8.58248 4.33482 5.7576 11.8814 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.50763 7.03773 8.08224 5.30015 7.75075 9.83118 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 5.22926 8.96446 6.3566 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 6.33923 10.001 8.11813 9.73916 8.69371 13.2936 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 8.06631 12.0208 8.50362 5.20968 9.66083 9.2094 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 7.59741 7.26295 11.9085 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 4.42095 12.1121 9.81055 7.59741 7.31316 11.9085 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 12.4055 8.9865 13.7794 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 6.88386 12.5858 7.56217 11.577 7.26295 11.9085 numMergedOcc 0
20 mol 194 unq 4 iso 0 dist 4.63898 12.5858 9.81055 11.577 7.31316 11.9085 numMergedOcc 0
21 mol 194 unq 5 iso 0 dist 4.63898 12.5858 9.81055 7.3101 8.9865 13.7794 numMergedOcc 0
22 mol 194 unq 6 iso 0 dist 9.53641 17.439 9.81055 7.22039 7.31316 11.9085 numMergedOcc 0
23 mol 194 unq 7 iso 0 dist 9.53641 17.439 9.81055 15.217 8.9865 13.7794 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 5.79883 5.28237 5.19729 4.30527 9.29322 7.88007 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 5.2116 6.07355 9.09279 9.93257 7.38867 15.5066 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 7.94753 5.4699 5.83039 7.0041 8.87934 8.48478 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 7.94753 5.4699 5.83039 13.0274 9.47133 9.66767 numMergedOcc 0
28 mol 254 unq 2 iso 0 dist 9.99046 5.4699 6.74364 7.0041 9.66687 8.48478 numMergedOcc 0
29 mol 254 unq 3 iso 0 dist 9.99046 5.4699 6.74364 13.0274 7.61537 9.66767 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.89615 18.0386 8.67957 13.0142 8.90108 9.77416 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 5.77565 7.77559 8.67957 3.93072 8.90108 9.77416 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.4625 12.5437 8.17436 5.7177 9.57637 9.20687 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.4625 12.5437 8.17436 5.7177 9.57637 9.20687 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.4625 12.5437 8.17436 5.7177 9.57637 9.20687 numMergedOcc 0
