0 mol 37 unq 0 iso 0 dist 8.5774 9.72316 9.48052 6.29622 11.7983 7.17889 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.5774 9.72316 9.48052 6.55499 7.77333 8.38803 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 6.53971 9.70386 11.6845 8.1839 13.0061 7.09184 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.23782 8.49223 10.1051 14.7723 16.2707 8.75165 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.27428 7.45405 5.92844 4.06023 9.12256 4.77515 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.20262 5.99206 6.14253 7.59533 5.59311 9.56319 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 6.20262 5.99206 6.14253 9.61802 5.7232 9.73038 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 6.20262 7.4615 4.88407 15.3904 14.1379 9.48694 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 6.20262 7.4615 4.88407 7.59533 5.59311 6.65267 numMergedOcc 0
9 mol 172 unq 0 iso 0 dist 5.87045 9.56872 12.33 10.3497 15.7071 8.03804 numMergedOcc 0
10 mol 180 unq 0 iso 0 dist 7.21447 7.04107 4.70797 4.73248 11.2177 9.3777 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 5.03982 5.80107 3.55732 9.26357 7.5578 8.83768 numMergedOcc 0
12 mol 185 unq 1 iso 0 dist 5.03982 5.80107 3.55732 9.73349 6.06763 5.7065 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.3953 9.5431 10.6005 13.7768 17.0131 7.20629 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.3953 9.5431 10.6005 3.81516 10.4624 9.44671 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 7.3953 6.39109 6.21775 3.81516 10.4624 7.21531 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.58344 9.43397 9.84235 10.7844 9.55454 4.53228 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 8.58344 9.43397 9.84235 10.2329 12.4327 8.54078 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 7.90656 7.59787 4.84665 4.51589 9.7384 9.73984 numMergedOcc 0
