0 mol 8 unq 0 iso 0 dist 5.89089 8.10061 6.56356 14.5586 10.9495 9.01112 17.2805 16.9088 13.8883 9.91301 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.46842 16.8735 9.48085 17.4161 10.9391 9.49421 10.5274 8.40051 13.591 8.6396 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 15.4151 7.19663 8.65848 20.3759 13.9943 9.89481 9.10981 numMergedOcc 0
3 mol 186 unq 0 iso 0 dist 5.47189 6.7954 6.61112 11.0456 7.09479 8.90571 10.0631 9.44405 3.6848 8.96988 numMergedOcc 0
4 mol 197 unq 0 iso 0 dist 7.41091 4.26432 6.86828 7.18765 5.43601 9.10817 14.6497 13.2564 17.2264 8.3337 numMergedOcc 0
5 mol 218 unq 0 iso 0 dist 9.95084 13.8104 7.33709 14.328 4.72474 8.75536 15.8157 7.73315 3.5359 7.0843 numMergedOcc 0
6 mol 218 unq 1 iso 0 dist 9.95084 13.8104 7.33709 14.4283 5.61978 6.67404 15.8157 7.73315 3.5359 6.9398 numMergedOcc 0
7 mol 229 unq 0 iso 0 dist 9.68636 9.76444 7.27993 14.4454 5.1556 9.51168 12.8446 8.6537 3.72432 8.75374 numMergedOcc 0
8 mol 229 unq 1 iso 0 dist 9.68636 9.76444 7.27993 11.9461 7.0298 6.95201 12.8446 8.6537 3.72432 5.57702 numMergedOcc 0
9 mol 257 unq 0 iso 0 dist 9.13483 6.16483 6.34915 6.44188 5.74182 7.81897 9.11516 15.3011 14.007 9.83721 numMergedOcc 0
10 mol 257 unq 1 iso 0 dist 5.16581 5.48725 6.34915 5.13633 5.74182 7.81897 12.611 15.3011 14.007 9.83721 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 14.0886 9.98105 6.9899 17.5984 9.73341 6.09466 6.42725 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 9.89728 15.7491 6.95511 11.1914 6.96053 9.46361 14.79 11.1503 9.0675 8.06771 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 6.66602 12.6107 9.58916 13.6132 8.96144 5.90924 9.34577 6.83408 3.63202 7.36905 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 6.86014 14.6762 8.9682 18.2066 11.8268 9.57499 25.7961 19.3912 17.8399 9.77689 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 6.86014 14.6762 8.9682 18.2066 11.8268 9.57499 16.3496 9.71491 6.17642 8.51931 numMergedOcc 0
16 mol 277 unq 2 iso 0 dist 6.86014 14.6762 8.9682 12.4435 7.08227 5.46926 16.3496 9.71491 6.17642 8.96343 numMergedOcc 0
17 mol 277 unq 3 iso 0 dist 6.86014 11.68 6.92711 12.4435 7.08227 5.13913 16.3496 9.71491 8.24206 8.96343 numMergedOcc 0
18 mol 277 unq 4 iso 0 dist 5.97073 11.3103 8.9682 12.8364 11.8268 9.57499 17.5445 19.3912 17.8399 9.77689 numMergedOcc 0
19 mol 277 unq 5 iso 0 dist 5.97073 11.3103 8.9682 12.8364 11.8268 9.57499 8.46862 9.71491 6.17642 8.51931 numMergedOcc 0
20 mol 277 unq 6 iso 0 dist 5.97073 11.3103 8.9682 11.2713 7.08227 5.46926 8.46862 9.71491 6.17642 8.96343 numMergedOcc 0
21 mol 277 unq 7 iso 0 dist 5.97073 10.5734 6.92711 11.2713 7.08227 5.13913 8.46862 9.71491 8.24206 8.96343 numMergedOcc 0
22 mol 277 unq 8 iso 0 dist 8.23147 6.40883 5.46926 10.0577 7.69449 9.57499 16.1005 17.2403 17.8399 9.77689 numMergedOcc 0
23 mol 277 unq 9 iso 0 dist 8.23147 6.40883 5.46926 10.0577 7.69449 9.57499 3.72575 8.96343 6.17642 8.51931 numMergedOcc 0
24 mol 277 unq 10 iso 0 dist 8.23147 6.40883 5.46926 6.49176 7.08227 8.9682 7.86614 14.3464 12.2421 9.29635 numMergedOcc 0
25 mol 277 unq 11 iso 0 dist 8.23147 6.79352 5.13913 6.49176 7.08227 6.92711 7.86614 14.3464 10.9521 9.29635 numMergedOcc 0
26 mol 277 unq 12 iso 0 dist 6.49176 6.40883 8.9682 10.0577 11.8268 9.57499 16.1005 19.3912 17.8399 9.77689 numMergedOcc 0
27 mol 277 unq 13 iso 0 dist 6.49176 6.40883 8.9682 10.0577 11.8268 9.57499 3.72575 9.71491 6.17642 8.51931 numMergedOcc 0
28 mol 277 unq 14 iso 0 dist 6.49176 6.40883 8.9682 8.23147 7.08227 5.46926 3.72575 9.71491 6.17642 8.96343 numMergedOcc 0
29 mol 277 unq 15 iso 0 dist 6.49176 6.79352 6.92711 8.23147 7.08227 5.13913 3.72575 9.71491 8.24206 8.96343 numMergedOcc 0
30 mol 277 unq 16 iso 0 dist 5.22392 6.68571 9.57499 8.20217 7.69449 5.46926 4.1574 8.51931 6.17642 8.96343 numMergedOcc 0
31 mol 277 unq 17 iso 0 dist 5.22392 6.68571 9.57499 11.4928 11.8268 8.9682 14.8105 17.8158 12.2421 9.29635 numMergedOcc 0
32 mol 277 unq 18 iso 0 dist 8.20217 6.68571 5.46926 5.22392 7.69449 9.57499 11.3025 17.2403 17.8399 9.77689 numMergedOcc 0
33 mol 277 unq 19 iso 0 dist 8.20217 6.68571 5.46926 5.22392 7.69449 9.57499 4.1574 8.96343 6.17642 8.51931 numMergedOcc 0
34 mol 277 unq 20 iso 0 dist 8.20217 6.68571 5.46926 11.4928 7.08227 8.9682 14.8105 14.3464 12.2421 9.29635 numMergedOcc 0
35 mol 277 unq 21 iso 0 dist 8.20217 9.44642 5.13913 11.4928 7.08227 6.92711 14.8105 14.3464 10.9521 9.29635 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 18.975 12.1693 9.10788 11.1098 5.75596 6.65781 8.37867 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 7.29148 13.1177 8.9221 18.975 12.1693 8.85064 11.1098 5.75596 4.00064 8.37867 numMergedOcc 0
38 mol 292 unq 2 iso 0 dist 6.02089 6.38012 9.90967 6.87804 11.8061 8.38121 12.1872 18.2037 12.3704 9.20416 numMergedOcc 0
39 mol 292 unq 3 iso 0 dist 6.02089 6.38012 9.90967 6.87804 11.8061 8.38121 12.2904 16.8329 15.5666 7.53641 numMergedOcc 0
40 mol 292 unq 4 iso 0 dist 8.54692 9.47804 7.30758 15.4675 10.3106 9.9182 22.0818 19.0288 18.4042 9.6898 numMergedOcc 0
41 mol 292 unq 5 iso 0 dist 8.54692 9.47804 7.30758 15.4675 10.3106 9.9182 14.8909 10.9895 6.65781 5.75596 numMergedOcc 0
42 mol 292 unq 6 iso 0 dist 8.54692 9.47804 7.30758 18.1401 12.6861 9.10788 14.8909 10.9895 6.65781 8.37867 numMergedOcc 0
