0 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 11.7112 12.1387 9.07676 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 5.74854 7.5242 8.53212 6.63199 12.1387 9.07676 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.55137 8.81779 7.84768 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 6.42493 8.81779 7.84768 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 6.37542 6.52773 4.86811 6.42493 11.0182 7.84768 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 5.53031 7.80532 8.98004 10.7371 14.3732 7.01507 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.55924 6.49708 9.87021 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 6.55924 6.49708 7.34023 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 6.62435 6.45018 9.96938 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 6.62435 6.45018 7.35268 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.62666 7.75632 6.73995 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 12.3741 12.6546 8.619 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 11.8746 7.75632 6.73995 numMergedOcc 0
13 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 16.3566 12.6546 8.619 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 11.4746 12.652 7.81069 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 4.527 11.5496 7.81069 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.24199 8.77999 3.86183 10.375 11.7104 9.8155 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 5.37446 7.10826 7.1777 7.09658 9.40123 9.69053 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 8.36582 12.0033 6.02641 numMergedOcc 0
