0 mol 10 unq 0 iso 0 dist 8.44864 5.94361 5.59965 4.87706 9.43029 4.99208 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.52695 9.36527 7.98326 5.23547 6.859 9.74251 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.52695 10.1362 7.46578 5.23547 6.859 6.56765 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 9.25493 5.97178 5.76024 3.92728 9.90835 5.21529 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.25493 10.229 7.92714 3.92728 9.90835 9.7731 numMergedOcc 0
5 mol 12 unq 2 iso 0 dist 9.25493 7.00379 8.47217 3.92728 9.90835 5.41989 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 5.19544 8.80394 6.03257 5.61111 6.23015 5.20798 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.99751 9.62452 7.35861 13.4787 9.36924 6.88067 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 9.44507 14.288 6.56527 8.43529 6.7142 10.0347 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 9.30674 7.40218 7.35861 12.9136 9.36924 6.88067 numMergedOcc 0
10 mol 26 unq 3 iso 0 dist 8.25567 3.9882 7.35861 10.8015 9.36924 6.88067 numMergedOcc 0
11 mol 26 unq 4 iso 0 dist 9.27369 12.8556 6.93197 5.23054 6.07276 10.1622 numMergedOcc 0
12 mol 26 unq 5 iso 0 dist 6.17217 4.29919 6.56527 6.0606 6.81793 4.76998 numMergedOcc 0
13 mol 55 unq 0 iso 0 dist 6.66861 10.042 9.93096 6.89662 8.70598 10.7467 numMergedOcc 0
14 mol 55 unq 1 iso 0 dist 6.72084 12.1572 9.93096 3.74852 8.70598 10.7467 numMergedOcc 0
15 mol 68 unq 0 iso 0 dist 7.07989 8.57904 6.74766 6.4113 7.98985 12.5617 numMergedOcc 0
16 mol 68 unq 1 iso 0 dist 9.77272 4.05011 6.74766 16.2411 7.98985 12.5617 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 5.51406 10.4949 8.66165 6.44712 8.77355 10.6223 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 7.4518 14.4094 8.89417 3.91263 7.28831 11.7638 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 7.4518 9.73718 9.95255 3.91263 7.28831 5.93472 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 5.42828 6.62328 7.80873 3.61827 8.72725 8.72143 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 5.42828 6.62328 7.80873 3.78964 6.11407 5.08111 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 6.09626 6.43704 7.80873 4.45743 9.26353 10.4943 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 9.66068 14.6132 6.6317 8.60362 9.30645 9.74974 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.04845 6.26174 8.95662 5.68827 8.83732 6.24625 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 7.94325 5.53181 8.95662 10.124 8.83732 6.24625 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 6.72323 14.5316 8.95662 11.5628 8.83732 6.24625 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 6.21194 4.47323 5.25109 9.12839 7.47964 11.4851 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 6.21194 4.73373 8.21618 9.12839 7.47964 12.9811 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.95568 10.453 8.86197 7.62237 9.88897 5.3698 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.95568 3.97538 5.94379 7.62237 9.88897 9.56782 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 9.07527 10.0344 7.22883 9.00952 8.12266 14.2282 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 9.07527 10.0344 7.22883 8.32063 9.43306 10.273 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 9.07527 10.0344 7.22883 7.88733 8.59681 5.14966 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 8.95598 12.4352 7.54099 6.60692 7.81263 7.81466 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 6.32097 6.5238 9.73541 5.06821 9.23863 10.7405 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 9.79381 9.51443 8.37739 11.9758 6.94762 3.94409 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 9.79381 9.51443 8.37739 3.69148 9.89167 8.31193 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 9.79381 9.52516 9.47237 11.9758 6.94762 6.88465 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 9.79381 9.52516 9.47237 3.69148 9.89167 6.8122 numMergedOcc 0
40 mol 225 unq 4 iso 0 dist 8.37379 11.2979 8.37739 12.7552 6.94762 3.94409 numMergedOcc 0
41 mol 225 unq 5 iso 0 dist 8.37379 11.2979 8.37739 5.69755 9.89167 8.31193 numMergedOcc 0
42 mol 225 unq 6 iso 0 dist 8.37379 11.0488 9.47237 12.7552 6.94762 6.88465 numMergedOcc 0
43 mol 225 unq 7 iso 0 dist 8.37379 11.0488 9.47237 5.69755 9.89167 6.8122 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.83422 6.36084 9.8664 6.54593 6.59036 4.68548 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 8.08939 8.89726 7.95359 10.7011 6.53416 3.92686 numMergedOcc 0
46 mol 244 unq 1 iso 0 dist 8.08939 10.6799 6.22122 10.7011 6.53416 10.3324 numMergedOcc 0
47 mol 244 unq 2 iso 0 dist 7.33574 4.55034 7.95359 7.2524 6.53416 3.92686 numMergedOcc 0
48 mol 244 unq 3 iso 0 dist 7.33574 8.05133 6.22122 7.2524 6.53416 10.3324 numMergedOcc 0
49 mol 256 unq 0 iso 0 dist 5.66817 7.4144 6.33496 8.00048 6.85663 8.60707 numMergedOcc 0
50 mol 256 unq 1 iso 0 dist 5.66817 3.86625 6.00636 8.00048 6.85663 9.39697 numMergedOcc 0
51 mol 256 unq 2 iso 0 dist 5.66817 11.0891 7.81448 8.00048 6.85663 4.05082 numMergedOcc 0
52 mol 256 unq 3 iso 0 dist 5.66817 11.854 8.54499 8.00048 6.85663 6.63324 numMergedOcc 0
53 mol 260 unq 0 iso 0 dist 5.68717 7.55193 9.32954 9.0549 6.75725 9.07649 numMergedOcc 0
54 mol 260 unq 1 iso 0 dist 5.68717 7.55193 9.32954 6.73886 9.31888 9.46408 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 6.38341 7.55971 7.16346 3.80794 7.85836 8.43367 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 6.38341 7.55971 7.16346 5.19474 6.35532 3.78984 numMergedOcc 0
