0 mol 1 unq 0 iso 0 dist 9.34725 7.16224 8.69605 9.33719 10.4572 5.74199 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.96836 5.21083 7.34681 12.1881 9.4204 9.26685 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 9.50568 10.2834 5.52834 13.2867 5.21506 8.84148 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.4343 6.39142 5.35252 11.4911 5.03338 7.38928 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.50028 5.19187 7.45777 7.5442 4.68175 9.27331 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 9.99609 12.809 9.90256 15.0452 5.83874 9.10245 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 5.57391 4.73115 8.68674 6.24473 4.74328 6.81741 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 7.68908 5.56761 8.078 9.0807 8.96379 7.81042 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 7.62091 6.35865 6.11833 10.9334 5.89806 8.80388 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 7.62091 6.35865 6.11833 11.8502 6.96209 7.28156 numMergedOcc 0
10 mol 105 unq 2 iso 0 dist 7.62091 3.51216 7.12201 10.9334 5.89806 8.8689 numMergedOcc 0
11 mol 105 unq 3 iso 0 dist 7.62091 3.51216 7.12201 11.8502 6.96209 9.18139 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.93751 10.5552 9.3757 13.0796 5.44978 7.02969 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.93751 11.4776 9.42014 13.0796 5.44978 9.42175 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.29879 6.92975 5.79195 4.84604 5.35551 9.07294 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 6.29879 6.53637 9.2759 10.5354 10.8516 5.12189 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 6.29879 6.53637 9.2759 4.84604 5.35551 7.50126 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.67331 4.92832 9.88178 10.3975 6.01484 7.85526 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.67331 4.92832 9.88178 9.91507 10.6104 5.33543 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.5915 9.65752 9.9368 16.597 13.4546 7.60912 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 6.26373 4.72853 7.20545 12.6803 9.97915 9.82329 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.21606 13.2658 9.40718 10.7353 5.15002 6.47689 numMergedOcc 0
22 mol 203 unq 0 iso 0 dist 9.52542 10.3525 6.84619 14.2624 4.9404 7.9591 numMergedOcc 0
23 mol 203 unq 1 iso 0 dist 9.80432 12.8357 6.84619 14.3655 4.9404 7.9591 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 9.54076 7.48216 6.41444 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.92349 11.12 5.25149 18.3188 10.1832 7.57712 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.92349 11.12 5.25149 15.6024 9.96224 7.20255 numMergedOcc 0
27 mol 220 unq 2 iso 0 dist 9.70779 11.12 8.6368 18.3188 13.4455 7.57712 numMergedOcc 0
28 mol 220 unq 3 iso 0 dist 9.70779 11.12 8.6368 15.6024 8.70221 7.20255 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.24184 6.63806 7.74348 13.4945 13.5224 7.6402 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.55222 13.0572 8.86185 13.5145 8.20191 6.00654 numMergedOcc 0
31 mol 255 unq 0 iso 0 dist 8.01663 9.80877 7.57779 15.5003 9.92518 9.72048 numMergedOcc 0
