0 mol 11 unq 0 iso 0 dist 8.09534 9.88198 12.158 6.24549 8.70462 15.0773 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.93279 8.36387 11.9446 6.07735 8.7143 14.3805 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 7.93279 9.99647 7.51068 6.07735 8.7143 7.5459 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.93801 8.98417 5.45023 7.46244 6.74848 6.56527 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 8.83047 8.5021 9.61785 12.4655 7.75295 16.112 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.4928 8.04272 4.82351 11.6385 4.65127 8.97364 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.16658 5.55574 12.5323 7.8821 5.53589 12.4267 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.81707 6.4751 9.18337 6.4423 8.1536 5.25109 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 6.81707 5.75085 8.83874 6.4423 8.1536 8.21618 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 7.70692 8.79135 7.59362 6.34062 8.03528 13.0614 numMergedOcc 0
10 mol 188 unq 0 iso 0 dist 9.53031 9.26919 10.7591 10.4355 5.73306 15.252 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.63008 8.09776 7.50057 4.44921 5.68348 6.38324 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.63008 5.4455 5.92931 4.44921 5.68348 6.1886 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 5.43238 9.5746 6.93529 4.45246 5.93798 12.3279 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 8.84798 5.94449 5.89415 10.8394 9.30921 11.0829 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 8.84798 8.61452 14.0491 10.8394 9.30921 12.7202 numMergedOcc 0
16 mol 279 unq 2 iso 0 dist 8.84798 7.66302 15.1378 10.8394 9.30921 12.6072 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 5.68818 4.87349 9.97867 7.98227 9.63007 10.6861 numMergedOcc 0
