0 mol 0 unq 0 iso 0 dist 8.27602 7.41411 9.72725 9.34624 6.94943 9.64573 10.9078 6.0225 7.65806 9.19007 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.291 7.24352 5.64171 12.5807 5.07458 5.73819 8.60739 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 4.91809 7.24352 5.64171 12.2944 5.07458 5.73819 8.60739 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.23033 6.6796 6.6263 5.31824 7.15901 7.05402 13.3486 5.41726 8.80331 10.0649 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.23033 10.2523 6.75943 5.31824 7.15901 5.48048 12.49 4.96926 5.73819 8.44903 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 9.23033 10.2523 6.75943 5.31824 7.15901 5.48048 13.3486 5.41726 6.20293 10.0649 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 5.31824 7.15901 5.48048 17.9394 10.0383 8.93915 13.5072 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 6.89706 6.07226 7.80898 5.03089 8.72458 5.31226 14.6182 12.1193 9.36773 12.1018 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 12.5542 6.9223 6.08245 13.6446 4.3481 9.33898 6.61823 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.48388 7.72576 7.06939 12.4705 7.0561 6.86728 13.6446 4.3481 9.33898 6.49956 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 10.4505 8.4965 5.61704 11.1013 5.03039 7.30858 5.72642 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 12.2045 8.612 9.23795 9.32441 4.78563 5.99315 7.25673 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 8.95292 11.2005 9.51256 4.77713 5.13268 7.72147 11.2959 4.78249 9.76807 8.15099 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 5.49143 8.25282 10.1489 8.0974 6.42973 6.69288 4.92088 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.1028 8.54702 4.59567 12.5309 5.13732 6.61986 8.37597 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 14.0929 8.88763 13.1624 6.37342 10.6736 6.16342 18.6283 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 10.4935 6.43209 7.34872 6.37342 10.6736 6.16342 13.3923 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 7.69491 5.29737 6.73665 13.5016 8.48769 8.9361 6.37342 10.6736 6.16342 13.1682 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 6.64008 11.4465 6.73665 5.15966 8.88763 13.1624 15.8376 10.6736 6.16342 18.6283 numMergedOcc 0
19 mol 239 unq 4 iso 0 dist 6.64008 11.4465 6.73665 8.27455 6.43209 7.34872 15.8376 10.6736 6.16342 13.3923 numMergedOcc 0
20 mol 239 unq 5 iso 0 dist 6.64008 11.4465 6.73665 13.5505 8.48769 8.9361 15.8376 10.6736 6.16342 13.1682 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 12.7164 9.39658 13.9054 9.73021 7.40852 7.19638 10.7615 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 7.37634 5.9974 7.63376 9.73021 7.40852 7.19638 7.50201 numMergedOcc 0
