0 mol 44 unq 0 iso 0 dist 7.20409 9.06073 11.0602 9.7651 9.96265 9.74935 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.93729 9.06073 6.3575 9.7651 9.70459 9.74935 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.0101 9.47924 15.1383 9.08836 6.4551 16.4532 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 4.90449 8.06422 7.49885 7.79347 7.91337 12.7943 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 4.90449 8.06422 7.49885 6.77381 6.40546 13.2957 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.87066 8.91629 10.1507 7.69184 6.31125 12.0117 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 7.7195 6.01062 9.44471 11.071 6.07091 14.7629 numMergedOcc 0
7 mol 171 unq 1 iso 0 dist 7.7195 8.63202 12.1824 11.071 6.07091 14.7738 numMergedOcc 0
8 mol 171 unq 2 iso 0 dist 8.30819 4.46397 12.1824 10.3893 6.07091 14.7738 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 8.91036 8.82137 16.1177 9.63894 8.1088 18.4541 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 8.45366 9.59166 9.56476 10.7804 9.36086 14.8949 numMergedOcc 0
11 mol 212 unq 0 iso 0 dist 7.67675 8.79252 13.7145 5.19318 5.87223 13.6854 numMergedOcc 0
12 mol 212 unq 1 iso 0 dist 7.67675 8.09995 9.48834 5.19318 5.87223 10.8077 numMergedOcc 0
13 mol 212 unq 2 iso 0 dist 7.35349 9.52641 4.95466 10.1617 8.062 9.47932 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 6.17749 8.27605 6.45821 12.5625 7.85877 11.7367 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 5.67249 8.70264 7.26273 5.19951 7.46434 13.2021 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 5.1766 8.90779 9.10714 6.54531 6.86162 12.5455 numMergedOcc 0
