0 mol 8 unq 0 iso 0 dist 6.96907 9.08552 7.38068 5.12111 5.68648 6.56356 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.96907 9.08552 7.38068 13.7837 15.1676 9.01112 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.96907 9.08552 7.38068 8.69443 12.2649 7.62333 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.15471 6.21616 3.83262 5.70228 10.3488 7.65889 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.15471 6.21616 3.83262 5.61445 9.30471 6.42835 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 9.15471 9.45103 5.7598 5.61445 9.30471 6.57331 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 9.15471 9.45103 5.7598 12.5048 12.8949 8.43054 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.32948 6.03151 6.28248 7.18614 13.02 9.9787 numMergedOcc 0
8 mol 46 unq 1 iso 0 dist 7.43338 6.03151 3.66253 7.18614 13.0737 9.9787 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 9.94735 5.62688 8.68463 5.02731 14.9027 9.2898 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 9.44388 5.62688 10.5328 5.02731 12.1419 9.2898 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 5.37449 8.8326 5.34337 15.957 12.6902 8.13108 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 9.52666 8.8326 10.8827 15.957 14.7622 8.13108 numMergedOcc 0
13 mol 81 unq 0 iso 0 dist 9.24998 7.81965 9.94655 4.8513 13.0662 7.07095 numMergedOcc 0
14 mol 89 unq 0 iso 0 dist 6.86861 5.10735 8.04878 4.77072 9.6629 6.53308 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.26536 4.79891 6.40382 4.72129 9.4286 7.02507 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.26325 8.46972 9.14454 10.1294 13.7657 5.51197 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 6.21554 9.58844 6.5713 7.21973 9.0918 6.93139 numMergedOcc 0
19 mol 142 unq 0 iso 0 dist 7.21779 5.90339 4.65943 8.68855 10.1001 7.81207 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 7.21779 5.90339 4.65943 5.50176 9.78089 6.14151 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 8.3622 8.14405 10.5172 7.92939 14.5301 8.97626 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.49577 9.07247 13.4486 7.25468 13.1625 5.96423 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 7.62505 9.85404 5.14649 16.7848 11.2491 9.31526 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 13.1803 12.6229 8.08349 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 5.07376 5.88041 4.67513 10.3321 13.0626 9.78218 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 8.18749 5.31916 5.81697 8.98459 12.1716 6.99769 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 numMergedOcc 0
28 mol 224 unq 4 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 14.2513 10.6239 8.19317 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 7.30003 6.50932 3.89748 8.38435 8.69551 5.1823 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 7.2154 5.54003 4.4421 7.95216 12.6123 8.67156 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 7.27155 7.05095 4.77242 6.46871 9.77155 5.90924 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 7.27155 7.05095 4.77242 9.80039 8.91251 5.90058 numMergedOcc 0
34 mol 264 unq 2 iso 0 dist 7.27155 7.05095 4.77242 6.62911 10.1365 9.58916 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 7.84151 8.28809 8.8839 6.69098 12.9809 9.59325 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 7.85797 8.28809 7.90253 6.69098 9.37841 9.59325 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 6.38295 6.16546 4.06908 8.30978 5.41639 6.02353 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 6.38295 6.16546 4.06908 5.80223 7.96485 6.86234 numMergedOcc 0
