0 mol 0 unq 0 iso 0 dist 8.27602 9.34624 6.94943 10.9078 6.0225 9.19007 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 7.68226 10.3064 7.27254 12.1303 6.27888 8.26708 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 7.68226 10.3064 7.27254 11.5768 4.50502 6.09918 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 7.61139 6.39663 8.25405 10.8304 5.48225 8.72023 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.03914 12.291 7.24352 18.8032 10.8828 9.93832 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.03914 12.291 7.24352 12.5807 5.07458 8.60739 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.04174 4.91809 7.24352 13.3752 10.8828 9.93832 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 9.04174 4.91809 7.24352 12.2944 5.07458 8.60739 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 9.23033 5.31824 7.15901 12.49 4.96926 8.44903 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 6.54758 4.7418 5.07125 6.80741 6.15355 8.63486 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.16712 5.9876 7.69861 12.6321 8.96557 8.03303 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.48388 12.5542 6.9223 13.6446 4.3481 6.61823 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.48388 12.4705 7.0561 13.6446 4.3481 6.49956 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.32738 10.4505 8.4965 11.1013 5.03039 5.72642 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 9.88678 8.83853 6.5739 15.0213 7.21225 8.33077 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.06547 4.79695 6.5739 12.0527 7.21225 8.33077 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.44814 12.2045 8.612 9.32441 4.78563 7.25673 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 8.95292 4.77713 5.13268 11.2959 4.78249 8.15099 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 6.95432 5.49143 8.25282 8.0974 6.42973 4.92088 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 8.51612 4.18413 9.20493 10.4467 6.2342 8.54827 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.99933 10.1703 7.04815 17.3239 13.6744 9.83476 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 5.08438 10.7217 7.87972 15.1561 11.9954 6.60567 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 5.08438 10.7217 7.87972 12.8586 8.04534 7.62942 numMergedOcc 0
23 mol 207 unq 0 iso 0 dist 6.06003 9.2787 8.78061 14.4693 14.0642 8.32218 numMergedOcc 0
24 mol 207 unq 1 iso 0 dist 6.06003 9.2787 8.78061 5.08312 4.56899 7.96797 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 8.83742 12.1028 8.54702 12.5309 5.13732 8.37597 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 4.54745 12.7164 9.39658 9.89226 5.6214 6.11473 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 4.54745 7.37634 5.9974 9.89226 5.6214 6.53679 numMergedOcc 0
28 mol 252 unq 2 iso 0 dist 4.54745 7.37634 5.9974 9.73021 7.40852 7.50201 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.0208 12.6413 8.20485 12.6622 4.74189 7.71657 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.30393 12.1716 8.20485 13.2769 4.74189 7.71657 numMergedOcc 0
