0 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 5.11636 8.24948 5.80953 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 7.73394 6.73167 6.07276 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 3.9764 8.75597 4.62494 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 13.4066 6.77921 6.65731 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 7.25673 7.78652 6.60479 4.78563 8.612 5.06564 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 7.25673 8.91301 7.54337 4.78563 8.612 7.5373 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 7.25742 8.4858 7.97232 4.48323 6.07821 9.35202 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 4.78249 5.13268 6.47164 numMergedOcc 0
8 mol 170 unq 1 iso 0 dist 8.15099 7.51126 8.73585 4.78249 5.13268 9.65126 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 9.71636 7.79115 8.66624 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 10.0756 5.53324 4.19371 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 8.83356 6.72379 7.50057 4.66791 6.72182 9.00322 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 5.41635 6.34234 6.22742 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 6.04871 6.34234 6.22742 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 6.29767 8.69988 12.8059 3.9436 5.50658 9.10288 numMergedOcc 0
15 mol 212 unq 1 iso 0 dist 6.29767 8.55903 10.7914 3.9436 5.50658 6.19798 numMergedOcc 0
16 mol 212 unq 2 iso 0 dist 8.74585 8.69988 4.21442 3.9436 9.22129 9.10288 numMergedOcc 0
17 mol 212 unq 3 iso 0 dist 8.74585 8.55903 6.69225 3.9436 9.22129 6.19798 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.0317 9.43618 9.18728 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 5.0317 9.43618 8.91971 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 4.14939 7.37478 8.98854 numMergedOcc 0
