0 mol 2 unq 0 iso 0 dist 9.74371 14.7531 9.53758 9.97525 6.35342 5.7104 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.67498 10.2939 8.85869 15.0231 9.85726 14.1047 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 15.279 8.85869 17.302 9.85726 14.1047 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.90117 15.279 7.5298 6.96396 7.21217 14.06 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.90117 11.7275 8.94874 6.96396 7.21217 5.77391 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 7.58788 6.63489 5.62629 11.7622 9.70148 5.33255 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 7.58788 6.37473 6.15118 11.7622 9.70148 9.70697 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.30431 16.966 9.94756 6.32949 9.62468 18.7183 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 4.628 4.71793 6.85094 6.32949 5.92705 7.15161 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 6.85819 7.41815 9.31938 6.43842 9.37957 6.90892 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 6.13631 7.84699 10.5627 6.89722 13.4367 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 10.5627 6.89722 9.64124 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 6.13631 8.40844 10.8067 9.68526 5.33851 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 6.13631 8.40844 10.5627 7.26679 13.4367 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.27355 6.13631 8.40844 17.4113 9.30776 15.7164 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 9.27355 16.1129 7.02351 10.8067 9.68526 13.6586 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 9.27355 16.1129 7.02351 10.5627 7.26679 10.3774 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 9.27355 16.1129 7.02351 17.4113 9.30776 4.15333 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 9.27355 12.6081 8.66342 10.8067 9.68526 16.8585 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 9.27355 12.6081 8.66342 10.5627 7.26679 9.64124 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 9.27355 12.6081 8.66342 17.4113 9.30776 16.0481 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 8.60363 6.13631 6.99156 10.8067 9.72442 5.33851 numMergedOcc 0
22 mol 73 unq 12 iso 0 dist 8.60363 6.13631 6.99156 16.3515 9.02288 16.0086 numMergedOcc 0
23 mol 73 unq 13 iso 0 dist 8.60363 12.6081 7.21285 10.8067 9.72442 16.8585 numMergedOcc 0
24 mol 73 unq 14 iso 0 dist 8.60363 12.6081 7.21285 16.3515 9.02288 4.91508 numMergedOcc 0
25 mol 73 unq 15 iso 0 dist 9.27331 11.9439 6.99156 10.163 9.72442 5.33851 numMergedOcc 0
26 mol 73 unq 16 iso 0 dist 9.27331 11.9439 6.99156 12.3394 9.02288 16.0086 numMergedOcc 0
27 mol 73 unq 17 iso 0 dist 9.27331 14.1204 7.21285 10.163 9.72442 16.8585 numMergedOcc 0
28 mol 73 unq 18 iso 0 dist 9.27331 14.1204 7.21285 12.3394 9.02288 4.91508 numMergedOcc 0
29 mol 111 unq 0 iso 0 dist 8.83191 6.38848 8.41868 13.3198 8.42147 10.9559 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 5.31281 7.22809 8.592 7.65733 7.25166 4.24853 numMergedOcc 0
31 mol 114 unq 1 iso 0 dist 5.31281 7.22809 8.592 5.24877 8.42445 9.52181 numMergedOcc 0
32 mol 165 unq 0 iso 0 dist 8.64349 5.89709 6.31455 5.10218 9.78437 4.87976 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 8.78709 11.6119 5.77393 9.49952 6.00053 5.32859 numMergedOcc 0
34 mol 183 unq 0 iso 0 dist 6.21267 13.2623 9.81282 11.4393 7.31181 6.00494 numMergedOcc 0
35 mol 183 unq 1 iso 0 dist 7.41743 7.22697 9.81282 6.81609 7.31181 6.00494 numMergedOcc 0
36 mol 199 unq 0 iso 0 dist 9.56785 10.1856 8.27889 5.60906 9.60407 5.5688 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 14.1114 7.07183 7.42296 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 9.89311 9.6353 7.06533 14.1114 7.07183 8.60418 numMergedOcc 0
39 mol 205 unq 2 iso 0 dist 9.89311 11.7852 5.94835 14.1114 7.07183 5.30941 numMergedOcc 0
40 mol 211 unq 0 iso 0 dist 9.8921 16.4954 9.45365 11.3877 8.63308 8.91121 numMergedOcc 0
41 mol 211 unq 1 iso 0 dist 9.8921 15.2751 7.15386 11.3877 8.63308 7.03173 numMergedOcc 0
42 mol 211 unq 2 iso 0 dist 9.8921 17.5039 7.73993 11.3877 8.63308 11.6621 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 9.81136 14.9808 5.69733 17.404 8.49704 5.68711 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 9.17355 15.9642 7.96759 8.70715 8.48112 16.2851 numMergedOcc 0
45 mol 220 unq 1 iso 0 dist 9.17355 5.10907 8.94384 8.70715 8.48112 10.3576 numMergedOcc 0
46 mol 220 unq 2 iso 0 dist 8.5434 14.8023 7.96759 8.22716 8.48112 16.2851 numMergedOcc 0
47 mol 220 unq 3 iso 0 dist 8.5434 5.61953 8.94384 8.22716 8.48112 10.3576 numMergedOcc 0
48 mol 220 unq 4 iso 0 dist 7.86207 11.9931 8.58709 10.6943 9.8711 5.1021 numMergedOcc 0
49 mol 220 unq 5 iso 0 dist 7.57712 6.40358 4.3362 6.19375 7.31105 9.20027 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 7.47122 6.1168 7.46044 15.4433 9.75313 13.1803 numMergedOcc 0
51 mol 224 unq 1 iso 0 dist 6.6537 9.80029 7.46044 4.55824 9.75313 13.1803 numMergedOcc 0
52 mol 224 unq 2 iso 0 dist 7.58998 9.07072 6.36813 6.87755 6.23882 5.25583 numMergedOcc 0
53 mol 226 unq 0 iso 0 dist 7.20862 15.6116 9.05082 10.5706 9.5723 10.78 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 7.99218 5.63043 7.52696 10.3775 7.2346 8.38435 numMergedOcc 0
55 mol 239 unq 0 iso 0 dist 6.00654 10.1043 8.78008 10.1196 9.37996 10.9742 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 6.18866 6.59067 5.66519 6.28944 5.78121 6.47697 numMergedOcc 0
57 mol 249 unq 1 iso 0 dist 6.18866 6.59067 5.66519 12.5843 7.29898 8.68833 numMergedOcc 0
58 mol 249 unq 2 iso 0 dist 9.3807 6.59067 6.50067 12.5843 8.91685 8.68833 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 7.70189 5.79358 6.59521 9.78068 8.58088 5.13233 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.73077 5.94835 9.16791 13.6207 6.77279 12.4673 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 8.73077 5.94835 9.16791 16.6797 9.58006 16.6792 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 6.76656 9.43627 9.16791 10.908 6.77279 12.4673 numMergedOcc 0
63 mol 259 unq 3 iso 0 dist 6.76656 9.43627 9.16791 12.7595 9.58006 16.6792 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 9.07452 14.9337 8.17922 6.11218 7.80446 10.374 numMergedOcc 0
65 mol 274 unq 1 iso 0 dist 9.07452 14.9337 8.17922 11.3921 9.86142 7.60191 numMergedOcc 0
66 mol 274 unq 2 iso 0 dist 7.21004 6.33183 5.68643 6.11218 9.91395 7.48637 numMergedOcc 0
67 mol 274 unq 3 iso 0 dist 6.12202 5.64335 7.59956 5.7574 7.79904 4.89399 numMergedOcc 0
68 mol 274 unq 4 iso 0 dist 6.12202 5.64335 7.59956 7.23876 9.02749 11.3084 numMergedOcc 0
69 mol 274 unq 5 iso 0 dist 6.12202 13.0534 8.05503 5.7574 7.79904 10.9974 numMergedOcc 0
70 mol 274 unq 6 iso 0 dist 6.12202 13.0534 8.05503 7.23876 9.02749 16.897 numMergedOcc 0
71 mol 274 unq 7 iso 0 dist 6.12202 9.24343 5.59151 5.7574 7.79904 7.60191 numMergedOcc 0
72 mol 274 unq 8 iso 0 dist 6.12202 9.24343 5.59151 7.23876 9.02749 13.8866 numMergedOcc 0
73 mol 274 unq 9 iso 0 dist 6.44266 6.26074 8.17922 6.98398 7.80446 10.374 numMergedOcc 0
74 mol 274 unq 10 iso 0 dist 6.44266 6.26074 8.17922 6.99898 9.86142 7.60191 numMergedOcc 0
75 mol 274 unq 11 iso 0 dist 8.75703 9.34663 5.68643 6.98398 9.91395 7.48637 numMergedOcc 0
76 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 6.13402 8.57532 10.7202 numMergedOcc 0
77 mol 277 unq 1 iso 0 dist 6.23539 13.1 9.42812 6.16829 9.02914 17.0927 numMergedOcc 0
78 mol 277 unq 2 iso 0 dist 6.23539 13.1 9.42812 7.44724 6.90434 16.2915 numMergedOcc 0
79 mol 280 unq 0 iso 0 dist 7.3304 10.5216 9.9227 7.26698 8.85762 5.80223 numMergedOcc 0
80 mol 282 unq 0 iso 0 dist 7.93511 8.96033 6.40686 9.67023 5.67266 4.89059 numMergedOcc 0
