0 mol 16 unq 0 iso 0 dist 9.15471 6.21616 3.83262 5.11248 9.78197 5.94982 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.91876 8.95648 6.46361 4.76462 9.17529 7.60512 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.32948 6.03151 6.28248 6.5207 10.6515 5.43693 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 7.43338 6.03151 3.66253 6.5207 6.02472 5.43693 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.26325 8.46972 9.14454 5.85167 11.1555 6.34626 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.49584 7.91109 11.3162 6.69013 13.3931 7.42144 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 9.49584 5.75808 12.0099 6.69013 13.3931 6.27658 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 8.3622 8.14405 10.5172 5.52764 13.7055 9.16358 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 8.3622 8.14405 10.5172 11.0203 17.8942 9.24038 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 4.59484 8.09699 5.35456 9.21862 10.2527 7.47964 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.49577 9.07247 13.4486 4.84884 12.0267 7.58375 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 7.71716 8.28942 7.03555 5.35985 9.16058 8.15661 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 7.62505 9.85404 5.14649 9.96095 9.60514 8.63279 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.02053 7.18098 3.73699 5.10109 9.37516 8.31721 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 7.98724 8.43638 7.52135 15.9513 12.6328 9.10288 numMergedOcc 0
15 mol 212 unq 1 iso 0 dist 7.98724 8.43638 7.52135 13.0497 12.7684 6.19798 numMergedOcc 0
16 mol 212 unq 2 iso 0 dist 7.98724 8.43638 7.52135 11.2196 13.5967 7.24895 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 4.07416 6.84722 5.05368 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.18749 5.31916 5.81697 7.45491 14.1723 9.25617 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.18749 5.31916 5.81697 5.77278 11.4169 9.05276 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 12.9973 12.7207 8.97952 numMergedOcc 0
21 mol 242 unq 0 iso 0 dist 9.31878 6.1076 4.46131 5.72074 9.55401 6.31971 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.13605 8.29663 4.58993 8.78038 10.1774 9.31888 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 7.84151 8.28809 8.8839 5.63899 9.16554 6.35532 numMergedOcc 0
24 mol 273 unq 1 iso 0 dist 7.85797 8.28809 7.90253 5.63899 9.65597 6.35532 numMergedOcc 0
