0 mol 90 unq 0 iso 0 dist 7.30343 5.75015 6.86146 11.3039 5.06489 9.08732 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.30176 4.94804 7.39754 11.9913 13.7136 7.87729 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.85041 9.97157 5.51624 8.70794 5.99863 9.30843 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 7.85041 8.01991 7.8674 8.70794 5.99863 6.25522 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 7.85041 8.01991 7.8674 12.2186 6.15015 7.87145 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 7.85041 8.01991 7.8674 16.0253 10.9803 9.30914 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 7.20953 6.14305 8.44437 12.6605 8.03743 9.09664 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.39683 12.4067 7.76594 16.4794 9.93041 4.48699 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 6.40901 7.12863 5.73236 11.6098 5.29609 8.56866 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 6.40901 7.12863 5.73236 8.08798 7.87644 5.66207 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 8.49473 13.3907 5.90883 13.6418 6.69196 5.22104 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 6.87906 10.5496 5.90883 13.0972 6.69196 5.22104 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.54367 10.5496 8.06913 13.0972 7.91467 5.22104 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 7.94975 9.19336 5.90883 12.5088 6.69196 5.22104 numMergedOcc 0
14 mol 156 unq 4 iso 0 dist 7.26859 9.19336 8.06913 12.5088 7.91467 5.22104 numMergedOcc 0
15 mol 156 unq 5 iso 0 dist 9.39865 4.24398 5.90883 8.90564 6.69196 5.22104 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.21476 9.79955 7.3546 13.75 6.08019 9.40912 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 7.66897 12.6283 7.3546 13.4327 6.08019 9.40912 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.94153 7.0016 8.12349 9.8337 6.3786 9.12783 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.59034 8.37278 7.23293 12.0223 9.42515 8.46395 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 8.76185 5.08201 6.22972 6.17074 5.43768 7.06636 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 9.77862 12.0339 5.52678 12.7281 7.82899 5.13892 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.77862 12.0339 5.52678 13.0738 10.0237 5.78717 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 9.77862 18.7006 9.81666 12.7281 7.82899 8.2232 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 7.35569 16.0031 9.84466 15.1016 8.0982 9.61703 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 8.70484 6.11942 9.60364 10.7343 6.28121 8.62514 numMergedOcc 0
26 mol 286 unq 0 iso 0 dist 8.72146 10.4684 5.91064 14.7853 7.62289 7.43339 numMergedOcc 0
