0 mol 7 unq 0 iso 0 dist 6.8464 9.85147 5.99972 10.1033 7.78327 3.54153 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 5.24341 10.2986 9.47063 4.07023 8.14998 13.4984 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.67661 11.7959 9.47063 7.19188 8.14998 13.4984 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.4204 8.4014 5.69755 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 8.58312 4.47542 9.78331 5.56803 8.70792 6.43075 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.0319 10.6504 7.33768 4.19221 7.49157 7.02381 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.0319 10.6504 7.33768 6.17633 7.73794 7.18485 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.0319 15.919 9.01567 4.19221 7.49157 13.4969 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.0319 15.919 9.01567 6.17633 7.73794 13.9252 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.0319 15.2997 7.29868 4.19221 7.49157 14.1137 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.0319 15.2997 7.29868 6.17633 7.73794 13.4584 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 8.03754 11.3298 8.95682 3.83842 9.02471 10.4863 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.67557 13.5302 7.54568 4.21164 8.04242 13.5973 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.11695 4.92054 8.91313 4.56304 8.85601 4.17255 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.11695 6.7197 8.16392 4.56304 8.85601 9.96839 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.64641 14.3991 7.02927 4.41479 8.11702 11.1265 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 9.64641 14.3991 7.02927 10.3271 7.44558 9.63255 numMergedOcc 0
17 mol 109 unq 2 iso 0 dist 9.64641 6.25986 6.60933 4.41479 8.11702 6.57741 numMergedOcc 0
18 mol 109 unq 3 iso 0 dist 9.64641 6.25986 6.60933 10.3271 7.44558 4.0719 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 9.32858 10.8848 7.70232 5.24084 7.78789 6.05048 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 9.32858 10.8848 7.70232 9.30266 7.42146 10.5934 numMergedOcc 0
21 mol 117 unq 2 iso 0 dist 9.32858 9.26317 7.4671 5.24084 7.78789 4.42665 numMergedOcc 0
22 mol 117 unq 3 iso 0 dist 9.32858 9.26317 7.4671 9.30266 7.42146 11.9806 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 8.75778 6.78281 8.88537 6.39355 4.42563 8.90201 numMergedOcc 0
24 mol 122 unq 1 iso 0 dist 8.75778 10.8777 9.23819 6.39355 4.42563 11.3935 numMergedOcc 0
25 mol 163 unq 0 iso 0 dist 8.32426 3.7064 9.07943 6.32469 9.90947 9.82832 numMergedOcc 0
26 mol 163 unq 1 iso 0 dist 8.32426 3.7064 9.07943 5.57089 8.16252 9.10855 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.51951 7.56138 5.44002 11.1775 7.13783 4.76454 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.94789 10.0824 4.8668 10.5366 9.31158 9.43113 numMergedOcc 0
29 mol 205 unq 2 iso 0 dist 6.23932 5.00854 4.8668 9.27501 9.31158 9.43113 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 8.11407 11.6019 6.16414 3.98316 4.51255 9.36584 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 8.11407 9.98867 7.33701 3.98316 4.51255 8.97305 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 8.11407 9.88398 8.0871 3.98316 4.51255 8.90838 numMergedOcc 0
33 mol 206 unq 3 iso 0 dist 8.95375 11.6019 7.75885 3.98316 6.23183 9.36584 numMergedOcc 0
34 mol 206 unq 4 iso 0 dist 9.29007 6.64436 7.75885 13.2719 6.23183 9.36584 numMergedOcc 0
35 mol 210 unq 0 iso 0 dist 6.13878 9.94073 7.10826 6.59517 6.85824 4.73037 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 7.69358 10.4922 7.6595 6.09845 7.12221 4.97531 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 7.69358 10.4922 7.6595 11.3756 5.4557 7.26991 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 6.84604 10.7698 6.62841 4.53664 5.35705 10.5492 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.13698 5.30118 5.39801 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.13698 5.30118 5.39801 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.13698 5.30118 5.39801 numMergedOcc 0
