0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 6.65577 12.1776 6.75381 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.93275 5.8992 9.58336 5.10071 14.1488 7.03274 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 6.3708 8.93438 8.13248 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 9.74115 9.26301 7.91231 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 4.97528 9.59458 6.61066 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.18707 9.50575 11.7723 4.97528 9.59458 6.3982 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.91786 8.64107 7.09627 4.97528 6.17589 6.61066 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.91786 9.50575 7.10772 4.97528 6.17589 6.3982 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 4.68337 10.7893 8.31743 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.7402 4.9155 7.46245 4.68337 10.7893 8.5778 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 4.16381 6.17633 9.64123 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 4.19097 6.20295 9.72257 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 4.20749 12.264 6.51997 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 5.04399 10.5075 6.94983 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 7.63329 6.26533 5.54149 8.41952 13.4014 9.13483 numMergedOcc 0
15 mol 257 unq 1 iso 0 dist 7.63329 6.26533 5.54149 5.44976 9.91996 5.16581 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 9.07546 5.59641 8.82941 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 8.78219 6.95233 13.8919 9.07546 13.9987 8.82941 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 17.7311 11.0359 8.62414 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 17.7311 16.0862 8.62414 numMergedOcc 0
20 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 17.7311 24.6133 8.62414 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 6.81536 9.37845 5.81338 8.46058 5.53313 8.32692 numMergedOcc 0
