0 mol 28 unq 0 iso 0 dist 8.42277 6.02451 8.75468 12.8973 7.39132 9.72965 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.42277 6.02451 8.75468 11.1074 13.2225 5.63315 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.42277 6.02451 8.75468 14.0975 10.8134 9.8465 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.46493 6.02451 7.62989 12.8973 5.28861 9.72965 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.46493 6.02451 7.62989 11.1074 12.3695 5.63315 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.46493 6.02451 7.62989 14.0975 11.956 9.8465 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.78342 10.6795 9.30914 11.104 10.9803 7.8674 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.41675 4.79878 4.48699 11.1333 9.93041 7.76594 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 4.93944 10.8036 8.88454 5.77628 5.50466 8.93453 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.19751 6.49088 7.6741 10.9055 6.41193 7.32419 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.19751 6.49088 7.6741 14.0561 10.568 8.31961 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.72354 6.30834 9.12454 11.6248 6.55448 9.05835 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.62945 5.37893 8.46395 9.03496 9.42515 7.23293 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.10013 8.4769 7.06636 7.46207 5.43768 6.22972 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.26295 11.802 5.13892 15.0285 7.82899 5.52678 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.26295 12.0623 8.2232 15.0285 7.82899 9.81666 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 7.31316 11.802 5.78717 15.0285 10.0237 5.52678 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 8.9865 10.1478 5.78717 12.9058 10.0237 5.52678 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 7.38867 9.71846 8.38453 14.6356 14.8966 8.55481 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 9.49871 16.8673 8.2659 17.8396 9.3694 4.95189 numMergedOcc 0
