0 mol 20 unq 0 iso 0 dist 8.45518 6.07025 4.90613 9.05198 5.87364 4.539 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.24862 10.9926 7.52742 7.59157 5.99046 8.25498 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.04371 15.0052 8.17327 9.62215 5.98441 5.75219 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 9.04371 15.0052 8.17327 6.84583 5.61819 12.8512 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 6.50917 15.0052 9.52936 9.62215 5.45873 5.75219 numMergedOcc 0
5 mol 91 unq 3 iso 0 dist 6.50917 15.0052 9.52936 6.84583 6.97995 12.8512 numMergedOcc 0
6 mol 91 unq 4 iso 0 dist 8.56547 7.15993 8.42914 3.98211 7.42828 5.75219 numMergedOcc 0
7 mol 91 unq 5 iso 0 dist 5.23177 7.15993 8.17327 3.98211 5.98441 5.75219 numMergedOcc 0
8 mol 91 unq 6 iso 0 dist 5.23177 7.15993 8.17327 6.76611 5.61819 12.8512 numMergedOcc 0
9 mol 91 unq 7 iso 0 dist 6.77052 7.15993 9.52936 3.98211 5.45873 5.75219 numMergedOcc 0
10 mol 91 unq 8 iso 0 dist 6.77052 7.15993 9.52936 6.76611 6.97995 12.8512 numMergedOcc 0
11 mol 91 unq 9 iso 0 dist 9.19143 11.9399 8.42914 11.2906 4.86532 9.18905 numMergedOcc 0
12 mol 91 unq 10 iso 0 dist 9.19143 14.4901 8.17327 11.2906 4.86532 8.00102 numMergedOcc 0
13 mol 91 unq 11 iso 0 dist 9.19143 15.0526 9.52936 11.2906 4.86532 11.1564 numMergedOcc 0
14 mol 91 unq 12 iso 0 dist 9.23907 15.5613 8.42914 9.98867 4.86532 9.18905 numMergedOcc 0
15 mol 91 unq 13 iso 0 dist 9.23907 16.4816 8.17327 9.98867 4.86532 8.00102 numMergedOcc 0
16 mol 91 unq 14 iso 0 dist 9.23907 18.1522 9.52936 9.98867 4.86532 11.1564 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 7.76517 8.66865 5.27541 4.85096 6.70158 6.45786 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.76517 8.66865 5.27541 7.09134 7.29701 10.4036 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 9.505 9.1432 7.0188 12.3669 5.05869 11.2575 numMergedOcc 0
20 mol 125 unq 1 iso 0 dist 5.33187 6.82442 7.0188 7.21828 5.05869 11.2575 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.65424 12.8035 9.1717 9.11419 7.57714 4.46354 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 7.65424 9.85394 8.8319 9.11419 7.57714 6.74216 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 6.06892 10.5943 7.37431 5.77163 9.38111 10.2563 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 9.29665 15.5255 9.67795 14.041 6.23981 11.3347 numMergedOcc 0
25 mol 196 unq 1 iso 0 dist 9.29665 15.5255 9.67795 12.1654 5.92441 7.52498 numMergedOcc 0
26 mol 196 unq 2 iso 0 dist 7.21836 6.29554 9.67795 10.9094 6.23981 11.3347 numMergedOcc 0
27 mol 196 unq 3 iso 0 dist 7.21836 6.29554 9.67795 7.39685 5.92441 7.52498 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.4889 4.26558 8.80432 7.27483 9.41595 9.13835 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.80478 11.5033 5.06731 11.5984 8.58448 9.70716 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 9.22409 6.81421 5.06731 8.8314 8.58448 9.70716 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.80478 11.5033 5.06731 11.5984 8.58448 9.70716 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 9.22409 6.81421 5.06731 8.8314 8.58448 9.70716 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.80478 11.5033 5.06731 11.5984 8.58448 9.70716 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 9.22409 6.81421 5.06731 8.8314 8.58448 9.70716 numMergedOcc 0
