0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 5.03904 4.79873 6.29702 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 16.8735 9.48085 13.591 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 12.3669 7.63928 9.55844 7.99919 4.88495 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.74289 10.1479 8.04256 5.37144 7.39665 7.21365 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.74289 3.95228 7.51075 5.37144 7.39665 6.56256 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.28058 7.70943 8.06168 15.8189 8.72682 13.9003 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.28058 7.70943 8.06168 9.77994 6.45841 8.88868 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.28058 7.70943 8.06168 10.8484 5.61588 10.8798 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.28058 7.70943 8.06168 14.7963 7.83244 13.7267 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.28058 3.98918 8.67532 15.8189 8.72682 17.2466 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.28058 3.98918 8.67532 9.77994 6.45841 10.2047 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.28058 3.98918 8.67532 10.8484 5.61588 10.8441 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 7.28058 3.98918 8.67532 14.7963 7.83244 15.2203 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.79714 3.80683 9.71952 9.4173 8.13108 6.69911 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 9.79714 6.77296 7.28257 9.4173 8.13108 3.94216 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 7.24378 11.8144 8.58841 8.52286 9.85905 16.3337 numMergedOcc 0
16 mol 76 unq 3 iso 0 dist 5.17291 4.73724 8.09199 8.27493 9.13322 5.37642 numMergedOcc 0
17 mol 76 unq 4 iso 0 dist 5.17291 3.98395 7.47794 8.27493 9.13322 12.1618 numMergedOcc 0
18 mol 76 unq 5 iso 0 dist 8.81569 12.5763 8.09199 12.0737 9.13322 5.37642 numMergedOcc 0
19 mol 76 unq 6 iso 0 dist 8.81569 10.3277 7.47794 12.0737 9.13322 12.1618 numMergedOcc 0
20 mol 76 unq 7 iso 0 dist 7.36475 5.94401 6.4551 8.41297 9.6952 5.79134 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 8.40871 11.8939 9.23023 10.8182 6.85523 13.8703 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 8.40871 11.8939 9.23023 3.48199 5.77326 11.9719 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 5.9335 9.3948 8.55456 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 9.88003 9.74607 3.84879 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 10.1153 8.84018 5.61881 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 8.98848 3.47603 8.90977 10.1153 8.84018 9.58747 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 5.75588 5.51197 9.05571 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 6.1421 12.3343 9.28278 3.82645 6.69691 9.63308 numMergedOcc 0
29 mol 129 unq 2 iso 0 dist 6.1421 12.3343 9.28278 4.18263 8.86944 14.5546 numMergedOcc 0
30 mol 129 unq 3 iso 0 dist 9.54663 10.4416 9.28278 11.0564 5.51197 9.05571 numMergedOcc 0
31 mol 129 unq 4 iso 0 dist 9.54663 10.4416 9.28278 5.71616 6.69691 9.63308 numMergedOcc 0
32 mol 129 unq 5 iso 0 dist 9.54663 10.4416 9.28278 7.22602 8.86944 14.5546 numMergedOcc 0
33 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 13.4842 8.77023 11.5628 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 7.18765 14.6497 8.3337 4.26432 9.10817 17.2264 numMergedOcc 0
35 mol 197 unq 1 iso 0 dist 7.18765 14.6497 8.3337 14.0652 9.73548 5.5875 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 10.2403 7.46481 14.8375 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 9.33638 5.24733 5.36829 10.2403 7.46481 5.47184 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 9.95084 15.8157 7.73315 13.8104 7.33709 3.5359 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 4.49605 8.2123 4.94998 numMergedOcc 0
40 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 9.76444 7.27993 3.72432 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 12.4759 7.81215 9.8663 numMergedOcc 0
42 mol 257 unq 0 iso 0 dist 6.44188 9.11516 9.83721 6.16483 7.81897 14.007 numMergedOcc 0
43 mol 257 unq 1 iso 0 dist 5.13633 12.611 9.83721 5.48725 7.81897 14.007 numMergedOcc 0
44 mol 257 unq 2 iso 0 dist 6.50405 6.07988 7.82899 9.94726 8.83833 14.9352 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 13.7396 5.85442 5.49348 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.89728 18.6806 9.54857 15.7491 6.95511 5.13138 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 12.6107 9.58916 3.63202 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 11.4058 9.35539 12.7269 numMergedOcc 0
49 mol 277 unq 1 iso 0 dist 6.86014 11.7966 9.29635 14.6762 8.9682 12.2421 numMergedOcc 0
50 mol 277 unq 2 iso 0 dist 6.86014 11.7966 9.29635 11.68 6.92711 10.9521 numMergedOcc 0
51 mol 277 unq 3 iso 0 dist 5.97073 7.00586 9.29635 6.9003 9.35539 12.7269 numMergedOcc 0
52 mol 277 unq 4 iso 0 dist 5.97073 7.00586 9.29635 11.3103 8.9682 12.2421 numMergedOcc 0
53 mol 277 unq 5 iso 0 dist 5.97073 7.00586 9.29635 10.5734 6.92711 10.9521 numMergedOcc 0
54 mol 277 unq 6 iso 0 dist 8.23147 3.72575 8.96343 6.40883 5.46926 6.17642 numMergedOcc 0
55 mol 277 unq 7 iso 0 dist 8.23147 3.72575 8.96343 6.79352 5.13913 8.24206 numMergedOcc 0
56 mol 277 unq 8 iso 0 dist 6.49176 7.86614 9.29635 11.7592 9.35539 12.7269 numMergedOcc 0
57 mol 277 unq 9 iso 0 dist 6.49176 7.86614 9.29635 6.40883 8.9682 12.2421 numMergedOcc 0
58 mol 277 unq 10 iso 0 dist 6.49176 7.86614 9.29635 6.79352 6.92711 10.9521 numMergedOcc 0
59 mol 277 unq 11 iso 0 dist 5.22392 11.3025 9.77689 6.68571 9.57499 17.8399 numMergedOcc 0
60 mol 277 unq 12 iso 0 dist 5.22392 4.1574 8.51931 6.68571 9.57499 6.17642 numMergedOcc 0
61 mol 277 unq 13 iso 0 dist 8.20217 4.1574 8.96343 6.68571 5.46926 6.17642 numMergedOcc 0
62 mol 277 unq 14 iso 0 dist 8.20217 4.1574 8.96343 9.44642 5.13913 8.24206 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 7.29148 4.34283 9.6898 14.9639 9.9182 18.4042 numMergedOcc 0
64 mol 292 unq 1 iso 0 dist 7.29148 4.34283 9.6898 13.1177 8.9221 14.5738 numMergedOcc 0
65 mol 292 unq 2 iso 0 dist 7.29148 11.1098 5.75596 14.9639 9.9182 6.65781 numMergedOcc 0
66 mol 292 unq 3 iso 0 dist 7.29148 11.1098 5.75596 13.1177 8.9221 4.00064 numMergedOcc 0
67 mol 292 unq 4 iso 0 dist 6.87804 12.1872 9.20416 4.77692 7.20674 8.88312 numMergedOcc 0
68 mol 292 unq 5 iso 0 dist 6.87804 12.1872 9.20416 6.38012 8.38121 12.3704 numMergedOcc 0
69 mol 292 unq 6 iso 0 dist 6.87804 12.2904 7.53641 4.77692 7.20674 10.0594 numMergedOcc 0
70 mol 292 unq 7 iso 0 dist 6.87804 12.2904 7.53641 6.38012 8.38121 15.5666 numMergedOcc 0
71 mol 292 unq 8 iso 0 dist 6.07571 11.4534 9.20416 11.6413 7.20674 8.88312 numMergedOcc 0
72 mol 292 unq 9 iso 0 dist 6.07571 11.4534 9.20416 14.3549 8.38121 12.3704 numMergedOcc 0
73 mol 292 unq 10 iso 0 dist 6.07571 4.49811 7.53641 11.6413 7.20674 10.0594 numMergedOcc 0
74 mol 292 unq 11 iso 0 dist 6.07571 4.49811 7.53641 14.3549 8.38121 15.5666 numMergedOcc 0
