0 mol 7 unq 0 iso 0 dist 8.02892 7.39982 9.68596 15.2879 14.7759 8.41585 11.392 10.3333 6.88805 5.99459 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 12.1471 5.68392 6.03987 11.2116 6.29797 5.86705 7.6114 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 12.9181 9.95364 6.62496 5.42468 9.01564 9.87158 9.22598 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 5.42468 9.01564 9.87158 8.96727 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 8.24108 7.11065 5.86526 8.01308 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 10.1845 5.11416 9.96396 6.25278 6.14542 5.70116 9.73086 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 9.26069 8.96616 6.20232 8.68662 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 6.25278 6.14542 5.70116 7.4369 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.91141 9.19589 9.24757 12.1403 15.3808 8.70481 11.5378 14.6027 11.2069 5.5087 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 6.91141 9.19589 9.24757 12.1403 15.3808 8.70481 8.59861 13.8591 10.6713 6.08682 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 9.514 9.50382 7.4729 12.7532 9.92987 4.46885 8.3773 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 11.5151 4.55551 5.83384 13.2297 9.8591 9.00231 5.58833 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 11.3921 6.48978 5.99315 7.51335 5.06564 4.78563 5.37047 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 15.0124 12.6232 6.8757 6.64173 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 5.71744 5.99437 5.71898 9.01624 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 6.42494 8.4848 5.83796 9.55105 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 15.0124 12.6232 10.6474 6.64173 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 5.71744 5.99437 5.93724 9.01624 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 6.42494 8.4848 5.12833 9.55105 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 7.86625 7.68794 9.31746 4.82437 13.3817 8.82964 9.56028 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 10.156 10.3603 7.26832 16.3377 16.7889 13.514 6.52816 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 17.592 9.18728 5.0317 5.23634 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 17.592 9.18728 5.0317 6.91318 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 8.61546 13.552 6.02296 14.5974 6.35849 7.09863 17.592 9.18728 5.83175 5.23634 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 6.77279 8.41846 8.13497 9.90573 14.6679 8.8603 9.07743 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 12.7528 11.547 7.20604 9.63573 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 9.90573 14.6679 8.8603 7.66153 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 12.7528 11.547 5.21606 9.63573 numMergedOcc 0
28 mol 259 unq 4 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 9.90573 14.6679 11.8896 7.66153 numMergedOcc 0
