0 mol 8 unq 0 iso 0 dist 5.89089 8.10061 6.56356 14.5586 10.9495 9.01112 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 5.89089 8.10061 6.56356 13.225 8.09332 7.62333 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.32791 11.1182 7.65889 15.6671 10.2656 6.42835 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.46842 16.8735 9.48085 17.4161 10.9391 9.49421 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.74289 5.37144 7.39665 13.3899 14.224 9.8703 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 13.6285 7.04035 9.74228 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 7.09258 7.54321 6.21799 13.592 8.24309 7.12321 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 7.09258 5.2819 5.03251 12.0429 5.8486 9.56773 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.28058 10.8484 5.61588 13.3369 8.07446 5.5087 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.28058 14.7963 7.83244 13.3369 8.07446 6.08682 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.24378 8.52286 9.85905 12.9184 10.2879 6.72869 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 15.4151 7.19663 8.65848 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.48388 4.54306 7.78931 10.5303 14.591 9.64383 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 9.48388 4.54306 7.78931 11.233 5.02887 7.54889 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.48388 10.9661 8.7497 12.9741 10.2427 5.10496 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.48388 10.9661 8.7497 15.2644 13.9786 5.92242 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 9.48388 10.9661 8.7497 11.233 5.02887 5.2571 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.13413 11.7536 8.47988 11.6374 4.8896 9.02706 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 9.13413 5.8662 8.0427 11.6374 4.8896 9.39168 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 9.45717 5.815 9.05342 11.7225 5.61668 8.26547 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.31419 6.4405 5.35237 12.4741 6.90348 7.99477 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 7.31419 3.64555 8.70621 9.92467 13.7309 6.42772 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 7.31419 3.64555 8.70621 9.11672 7.09823 9.1998 numMergedOcc 0
23 mol 170 unq 0 iso 0 dist 7.665 5.03025 9.08274 12.2299 8.56034 9.51256 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.47189 6.7954 6.61112 11.0456 7.09479 8.90571 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 7.41091 5.43601 6.86828 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 7.41091 4.26432 6.86828 7.18765 5.43601 9.10817 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 9.95084 13.8104 7.33709 14.328 4.72474 8.75536 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 9.95084 13.8104 7.33709 14.4283 5.61978 6.67404 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 9.30186 6.38826 8.1945 12.2976 13.3965 6.50998 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 9.68636 9.76444 7.27993 14.4454 5.1556 9.51168 numMergedOcc 0
31 mol 229 unq 1 iso 0 dist 9.68636 9.76444 7.27993 11.9461 7.0298 6.95201 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 7.17987 12.4759 7.81215 12.6184 10.2693 5.64285 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 9.09166 17.7087 9.08509 17.3543 10.1813 6.99888 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 9.13483 6.16483 6.34915 6.44188 5.74182 7.81897 numMergedOcc 0
35 mol 257 unq 1 iso 0 dist 6.44188 6.16483 7.81897 9.13483 5.74182 6.34915 numMergedOcc 0
36 mol 257 unq 2 iso 0 dist 5.16581 5.48725 6.34915 5.13633 5.74182 7.81897 numMergedOcc 0
37 mol 257 unq 3 iso 0 dist 5.13633 5.48725 7.81897 5.16581 5.74182 6.34915 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 14.0886 9.98105 6.9899 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.89728 15.7491 6.95511 11.1914 6.96053 9.46361 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 6.66602 12.6107 9.58916 13.6132 8.96144 5.90924 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 6.66602 12.6107 9.58916 18.2663 14.3597 5.90058 numMergedOcc 0
42 mol 264 unq 2 iso 0 dist 8.43682 4.66338 9.19754 6.20796 4.92077 8.29262 numMergedOcc 0
43 mol 264 unq 3 iso 0 dist 6.20796 4.66338 8.29262 8.43682 4.92077 9.19754 numMergedOcc 0
44 mol 264 unq 4 iso 0 dist 7.73693 10.3972 8.29262 10.6405 4.92077 9.19754 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 6.86014 14.6762 8.9682 18.2066 11.8268 9.57499 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 6.86014 14.6762 8.9682 12.4435 7.08227 5.46926 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 6.86014 11.68 6.92711 12.4435 7.08227 5.13913 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 5.97073 11.3103 8.9682 12.8364 11.8268 9.57499 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 5.97073 11.3103 8.9682 11.2713 7.08227 5.46926 numMergedOcc 0
50 mol 277 unq 5 iso 0 dist 5.97073 10.5734 6.92711 11.2713 7.08227 5.13913 numMergedOcc 0
51 mol 277 unq 6 iso 0 dist 8.23147 6.40883 5.46926 10.0577 7.69449 9.57499 numMergedOcc 0
52 mol 277 unq 7 iso 0 dist 8.23147 6.40883 5.46926 6.49176 7.08227 8.9682 numMergedOcc 0
53 mol 277 unq 8 iso 0 dist 8.23147 6.79352 5.13913 6.49176 7.08227 6.92711 numMergedOcc 0
54 mol 277 unq 9 iso 0 dist 6.49176 6.40883 8.9682 10.0577 11.8268 9.57499 numMergedOcc 0
55 mol 277 unq 10 iso 0 dist 6.49176 6.40883 8.9682 8.23147 7.08227 5.46926 numMergedOcc 0
56 mol 277 unq 11 iso 0 dist 6.49176 6.79352 6.92711 8.23147 7.08227 5.13913 numMergedOcc 0
57 mol 277 unq 12 iso 0 dist 5.22392 6.68571 9.57499 8.20217 7.69449 5.46926 numMergedOcc 0
58 mol 277 unq 13 iso 0 dist 5.22392 6.68571 9.57499 11.4928 11.8268 8.9682 numMergedOcc 0
59 mol 277 unq 14 iso 0 dist 8.20217 6.68571 5.46926 5.22392 7.69449 9.57499 numMergedOcc 0
60 mol 277 unq 15 iso 0 dist 8.20217 6.68571 5.46926 11.4928 7.08227 8.9682 numMergedOcc 0
61 mol 277 unq 16 iso 0 dist 8.20217 9.44642 5.13913 11.4928 7.08227 6.92711 numMergedOcc 0
62 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 15.3813 10.3106 7.30758 numMergedOcc 0
63 mol 292 unq 1 iso 0 dist 7.29148 14.9639 9.9182 18.975 12.1693 9.10788 numMergedOcc 0
64 mol 292 unq 2 iso 0 dist 7.29148 13.1177 8.9221 18.975 12.1693 8.85064 numMergedOcc 0
65 mol 292 unq 3 iso 0 dist 6.02089 6.38012 9.90967 6.87804 11.8061 8.38121 numMergedOcc 0
66 mol 292 unq 4 iso 0 dist 6.87804 6.38012 8.38121 6.02089 11.8061 9.90967 numMergedOcc 0
67 mol 292 unq 5 iso 0 dist 8.54692 9.47804 7.30758 15.4675 10.3106 9.9182 numMergedOcc 0
68 mol 292 unq 6 iso 0 dist 8.54692 9.47804 7.30758 18.1401 12.6861 9.10788 numMergedOcc 0
69 mol 292 unq 7 iso 0 dist 6.07571 14.3549 8.38121 16.459 11.8061 9.90967 numMergedOcc 0
