0 mol 26 unq 0 iso 0 dist 6.67455 8.99751 5.60332 9.90986 4.80254 5.29055 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.67455 9.44507 7.30207 9.90986 4.80254 4.76998 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 9.84967 8.51496 10.8606 8.98564 11.4985 5.58618 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 9.84967 8.51496 10.8606 7.51725 5.56089 7.28949 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.51139 5.31016 7.22315 8.0072 9.28138 4.23447 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.91278 5.31016 4.65104 8.0072 4.98483 4.23447 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 7.09184 8.51942 7.85496 8.28839 5.66383 12.0805 numMergedOcc 0
7 mol 63 unq 1 iso 0 dist 7.09184 8.51942 7.85496 7.07396 4.5476 3.95673 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 6.09291 7.91434 7.70397 6.00783 7.58935 5.52164 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 6.09291 7.79437 4.8154 6.00783 7.58935 8.86736 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 6.66555 9.37035 4.27178 7.85801 6.90307 8.86693 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.35664 8.13947 7.07871 9.48766 6.04748 5.66395 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.85777 7.23557 10.0824 6.41148 6.16492 9.86388 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.47833 7.23557 11.1448 6.41148 10.1222 9.86388 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 5.05912 7.23557 5.00854 6.41148 9.99561 9.86388 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 5.47586 8.86587 11.1448 5.06713 10.1222 9.86388 numMergedOcc 0
16 mol 205 unq 4 iso 0 dist 5.47586 8.86587 11.1448 8.69512 10.4922 16.7363 numMergedOcc 0
17 mol 205 unq 5 iso 0 dist 6.60429 8.86587 5.00854 5.06713 9.99561 9.86388 numMergedOcc 0
18 mol 205 unq 6 iso 0 dist 6.60429 8.86587 5.00854 8.69512 15.2328 16.7363 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 4.87053 5.89818 4.07008 8.86886 6.4817 6.67077 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 4.87053 9.32543 10.3765 8.86886 6.4817 16.6736 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 9.06357 5.79898 14.3408 9.11416 16.2635 5.30519 numMergedOcc 0
