0 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 13.0423 9.83168 14.3126 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 13.0423 9.83168 18.4168 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.83168 8.40467 13.4544 13.0423 8.70005 19.8869 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 7.90905 7.53564 10.5084 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.53564 7.62469 6.44784 7.90905 8.58709 13.3024 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.12259 9.52298 9.5489 7.76782 8.33102 15.9021 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.3239 8.03504 4.60627 9.40104 8.34632 7.87739 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 8.34632 7.87739 4.60627 9.40104 9.3239 8.03504 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 5.62629 7.87739 5.55161 5.90603 6.15118 10.4637 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 8.97054 8.37022 9.8958 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 8.37022 9.8958 4.98324 8.97054 9.49909 8.0757 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 4.87423 7.12853 5.01302 6.17026 6.71332 10.8468 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 4.87423 7.12853 5.01302 3.843 4.76283 6.14513 numMergedOcc 0
13 mol 71 unq 2 iso 0 dist 4.76283 6.14513 5.01302 5.76061 6.71332 10.8468 numMergedOcc 0
14 mol 71 unq 3 iso 0 dist 4.76283 6.14513 5.01302 3.843 4.87423 7.12853 numMergedOcc 0
15 mol 71 unq 4 iso 0 dist 4.76283 7.4392 4.64256 5.76061 6.71332 10.0243 numMergedOcc 0
16 mol 71 unq 5 iso 0 dist 4.76283 7.4392 4.64256 3.843 4.87423 9.1134 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 14.5875 8.40844 13.2901 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 14.5875 8.40844 10.8175 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 12.3241 8.66342 7.32265 numMergedOcc 0
21 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 13.6926 7.84699 13.2901 numMergedOcc 0
22 mol 73 unq 5 iso 0 dist 7.53504 7.32265 8.30433 13.6926 7.84699 10.8175 numMergedOcc 0
23 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 13.6926 8.40844 13.2901 numMergedOcc 0
24 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 12.3241 7.02351 6.7939 numMergedOcc 0
25 mol 73 unq 8 iso 0 dist 8.66342 7.32265 4.63063 13.6926 8.40844 10.8175 numMergedOcc 0
26 mol 73 unq 9 iso 0 dist 8.66342 7.32265 4.63063 12.3241 7.02351 6.85356 numMergedOcc 0
27 mol 73 unq 10 iso 0 dist 7.21285 5.68894 7.09483 13.6926 6.99156 13.2901 numMergedOcc 0
28 mol 73 unq 11 iso 0 dist 7.21285 7.32265 4.68175 13.6926 6.99156 10.8175 numMergedOcc 0
29 mol 98 unq 0 iso 0 dist 6.2491 7.88143 12.7928 5.4823 3.59451 10.5625 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.2491 6.62952 7.89992 5.4823 3.59451 4.3521 numMergedOcc 0
31 mol 98 unq 2 iso 0 dist 3.59451 4.3521 7.89992 5.4823 6.2491 6.62952 numMergedOcc 0
32 mol 125 unq 0 iso 0 dist 8.15971 8.44933 5.16445 10.4314 8.32045 12.5593 numMergedOcc 0
33 mol 125 unq 1 iso 0 dist 8.15971 7.43803 5.32986 10.4314 8.32045 12.7388 numMergedOcc 0
34 mol 125 unq 2 iso 0 dist 6.6081 8.75402 4.77979 10.6764 9.64304 8.48363 numMergedOcc 0
35 mol 125 unq 3 iso 0 dist 9.64304 8.48363 4.77979 10.6764 6.6081 8.75402 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 10.9934 5.1557 11.6613 numMergedOcc 0
37 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 8.50438 8.6538 10.3933 numMergedOcc 0
38 mol 193 unq 1 iso 0 dist 9.16852 7.71716 3.53549 13.1729 5.19654 8.71993 numMergedOcc 0
39 mol 193 unq 2 iso 0 dist 5.19654 8.71993 3.53549 13.1729 9.16852 7.71716 numMergedOcc 0
40 mol 193 unq 3 iso 0 dist 5.19654 8.71993 3.53549 8.96814 8.6538 10.3933 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 4.4482 7.06533 7.41663 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 8.21112 6.02053 8.82544 11.1418 5.94835 13.9502 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 7.06533 7.41663 8.82544 4.4482 8.21112 6.02053 numMergedOcc 0
44 mol 205 unq 3 iso 0 dist 7.06533 7.41663 8.82544 10.4273 5.94835 13.9502 numMergedOcc 0
45 mol 205 unq 4 iso 0 dist 5.94835 7.09439 5.16703 11.1418 8.21112 12.5963 numMergedOcc 0
46 mol 205 unq 5 iso 0 dist 5.94835 7.09439 5.16703 10.4273 7.06533 12.1949 numMergedOcc 0
47 mol 209 unq 0 iso 0 dist 7.757 8.20431 5.86856 6.11542 9.56015 12.5799 numMergedOcc 0
48 mol 209 unq 1 iso 0 dist 7.757 8.8886 8.13817 6.11542 9.56015 8.78565 numMergedOcc 0
49 mol 209 unq 2 iso 0 dist 9.56015 8.78565 8.13817 6.11542 7.757 8.8886 numMergedOcc 0
50 mol 211 unq 0 iso 0 dist 9.45365 8.66183 13.6185 4.78922 7.15386 12.8712 numMergedOcc 0
51 mol 211 unq 1 iso 0 dist 9.45365 8.66183 13.6185 8.05917 7.73993 15.098 numMergedOcc 0
52 mol 220 unq 0 iso 0 dist 5.51565 6.89587 4.4922 6.08531 9.74776 12.3506 numMergedOcc 0
53 mol 220 unq 1 iso 0 dist 9.74776 9.984 8.70221 6.08531 5.51565 11.0474 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 9.92947 5.07376 12.9085 5.639 8.68767 10.6332 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 8.68767 8.18749 4.42976 5.639 9.92947 10.5916 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 9.06201 8.96263 9.9943 5.51581 7.7163 12.1661 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 9.06201 7.35677 7.83342 5.51581 7.7163 10.826 numMergedOcc 0
58 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 10.6003 9.27643 7.66323 numMergedOcc 0
59 mol 230 unq 1 iso 0 dist 9.27643 7.66323 4.85368 10.6003 5.00735 9.32781 numMergedOcc 0
60 mol 260 unq 0 iso 0 dist 9.05149 8.13605 11.3568 10.3809 8.3298 13.9457 numMergedOcc 0
61 mol 261 unq 0 iso 0 dist 9.64886 8.96253 14.3335 9.90349 9.56414 15.4596 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 8.87355 8.52827 10.2078 7.00034 8.18179 7.14122 numMergedOcc 0
63 mol 279 unq 1 iso 0 dist 8.87355 8.52827 10.2078 9.39866 9.51355 12.4687 numMergedOcc 0
64 mol 279 unq 2 iso 0 dist 8.18179 7.14122 10.2078 7.00034 8.87355 8.52827 numMergedOcc 0
65 mol 279 unq 3 iso 0 dist 8.18179 7.14122 10.2078 5.38839 9.51355 12.4687 numMergedOcc 0
66 mol 279 unq 4 iso 0 dist 5.25218 7.14122 8.61009 5.38839 8.31465 12.4687 numMergedOcc 0
67 mol 279 unq 5 iso 0 dist 5.25218 7.14122 8.61009 11.2306 7.88102 16.1654 numMergedOcc 0
68 mol 281 unq 0 iso 0 dist 9.61122 6.47753 10.2905 4.37277 9.95684 9.69744 numMergedOcc 0
69 mol 281 unq 1 iso 0 dist 9.95684 9.69744 10.2905 4.37277 9.61122 6.47753 numMergedOcc 0
