0 mol 16 unq 0 iso 0 dist 9.47421 12.558 7.03948 5.66097 5.47769 6.92781 10.8592 6.2983 5.05803 6.31718 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.47421 12.558 7.03948 6.06561 6.58035 10.7015 10.8592 6.2983 5.05803 10.9143 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.47421 5.66097 5.47769 12.558 7.03948 6.92781 10.8592 6.2983 6.31718 5.05803 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 9.47421 5.66097 5.47769 12.558 7.03948 6.92781 7.46752 5.94084 7.63133 12.5273 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 9.47421 5.66097 5.47769 6.06561 6.58035 5.32694 10.8592 6.2983 6.31718 10.9143 numMergedOcc 0
5 mol 16 unq 5 iso 0 dist 9.47421 5.66097 5.47769 6.06561 6.58035 5.32694 7.46752 5.94084 7.63133 5.46498 numMergedOcc 0
6 mol 16 unq 6 iso 0 dist 9.47421 6.06561 6.58035 12.558 7.03948 10.7015 7.46752 5.94084 5.46498 12.5273 numMergedOcc 0
7 mol 16 unq 7 iso 0 dist 9.47421 6.06561 6.58035 5.66097 5.47769 5.32694 7.46752 5.94084 5.46498 7.63133 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 10.7917 11.0832 7.20519 12.1187 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 8.18518 6.55187 4.54938 7.82074 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 12.9091 12.3093 6.864 11.0366 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 5.36258 6.01189 8.73972 6.57145 8.23643 5.03957 8.18518 6.55187 7.82074 4.54938 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 6.41829 9.54144 10.6748 12.3873 5.3948 9.67592 14.5656 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 7.14313 6.77761 5.15851 5.2027 6.33365 9.02771 7.16583 10.0425 7.79912 11.673 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 7.14313 6.77761 5.15851 5.2027 6.33365 9.02771 11.6681 11.8774 8.56639 15.657 numMergedOcc 0
15 mol 75 unq 2 iso 0 dist 7.14313 6.77761 5.15851 5.2027 6.33365 9.02771 13.9013 10.0372 8.59017 15.872 numMergedOcc 0
16 mol 75 unq 3 iso 0 dist 8.26819 5.56574 5.15851 12.5382 6.33365 9.02771 13.0751 10.0425 7.79912 11.673 numMergedOcc 0
17 mol 75 unq 4 iso 0 dist 8.26819 5.56574 5.15851 12.5382 6.33365 9.02771 12.1692 11.8774 8.56639 15.657 numMergedOcc 0
18 mol 75 unq 5 iso 0 dist 8.26819 5.56574 5.15851 12.5382 6.33365 9.02771 10.0315 10.0372 8.59017 15.872 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.81198 5.74878 6.50039 12.0855 6.87861 10.4294 6.09472 5.60178 4.99221 11.8322 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 6.36583 6.24736 6.19042 5.81718 8.43904 9.22558 11.4157 6.35763 9.87172 10.1813 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.36583 5.81718 8.43904 6.24736 6.19042 9.22558 9.85387 10.3457 6.18601 13.9919 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 5.9827 6.192 11.279 20.3291 14.9761 8.14887 19.0925 numMergedOcc 0
23 mol 127 unq 1 iso 0 dist 5.45159 13.8098 8.59981 5.9827 6.192 11.279 18.5612 14.085 9.30299 17.6472 numMergedOcc 0
24 mol 127 unq 2 iso 0 dist 5.45159 13.8098 8.59981 7.79941 7.69308 11.4958 20.3291 14.9761 8.14887 18.4772 numMergedOcc 0
25 mol 127 unq 3 iso 0 dist 5.45159 13.8098 8.59981 7.79941 7.69308 11.4958 18.5612 14.085 9.30299 15.0647 numMergedOcc 0
26 mol 127 unq 4 iso 0 dist 5.45159 13.8098 8.59981 12.0185 7.66331 5.55757 20.3291 14.9761 8.14887 12.8743 numMergedOcc 0
27 mol 127 unq 5 iso 0 dist 5.45159 13.8098 8.59981 12.0185 7.66331 5.55757 18.5612 14.085 9.30299 14.7391 numMergedOcc 0
28 mol 127 unq 6 iso 0 dist 4.9835 11.5038 8.59981 7.96613 6.192 11.279 16.9209 14.9761 8.14887 19.0925 numMergedOcc 0
29 mol 127 unq 7 iso 0 dist 4.9835 11.5038 8.59981 7.96613 6.192 11.279 13.8284 14.085 9.30299 17.6472 numMergedOcc 0
30 mol 127 unq 8 iso 0 dist 4.9835 11.5038 8.59981 6.32804 7.69308 11.4958 16.9209 14.9761 8.14887 18.4772 numMergedOcc 0
31 mol 127 unq 9 iso 0 dist 4.9835 11.5038 8.59981 6.32804 7.69308 11.4958 13.8284 14.085 9.30299 15.0647 numMergedOcc 0
32 mol 127 unq 10 iso 0 dist 4.9835 11.5038 8.59981 12.1032 7.66331 5.55757 16.9209 14.9761 8.14887 12.8743 numMergedOcc 0
33 mol 127 unq 11 iso 0 dist 4.9835 11.5038 8.59981 12.1032 7.66331 5.55757 13.8284 14.085 9.30299 14.7391 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 12.7034 9.14392 5.71071 13.7468 6.3845 6.23493 7.46303 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 10.0656 7.16254 5.71071 13.7468 6.3845 7.46303 6.23493 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 8.54318 12.7034 9.14392 10.0656 7.16254 5.71071 18.2865 12.1814 6.43582 10.2463 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 12.96 11.8759 8.03456 9.81562 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 10.8312 11.3552 6.84306 7.68742 numMergedOcc 0
39 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 11.2195 6.04825 9.99038 6.27581 numMergedOcc 0
40 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 14.0541 12.6468 9.78037 13.499 numMergedOcc 0
41 mol 236 unq 4 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 6.73134 6.40312 8.35971 11.2141 numMergedOcc 0
42 mol 236 unq 5 iso 0 dist 5.77356 7.77821 5.34718 5.27568 7.17676 7.28249 12.96 11.8759 9.81562 8.03456 numMergedOcc 0
43 mol 236 unq 6 iso 0 dist 5.77356 7.77821 5.34718 5.27568 7.17676 7.28249 10.8312 11.3552 7.68742 6.84306 numMergedOcc 0
44 mol 236 unq 7 iso 0 dist 5.77356 7.77821 5.34718 5.27568 7.17676 7.28249 11.2195 6.04825 6.27581 9.99038 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 7.87164 11.2453 9.29858 14.8949 9.68513 10.1648 11.7876 13.069 5.72887 12.8711 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 9.02486 12.5843 8.83735 6.28944 8.96876 8.34718 12.4678 5.23473 7.57994 11.7594 numMergedOcc 0
47 mol 249 unq 1 iso 0 dist 9.02486 12.5843 8.83735 6.28944 8.96876 8.34718 15.0782 7.38675 6.18582 12.2913 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 11.2762 7.32347 5.39891 12.9821 6.3384 8.04483 6.33524 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 7.10557 10.9773 6.85028 6.28612 8.3411 7.76539 12.9821 6.3384 8.04483 13.5481 numMergedOcc 0
50 mol 282 unq 2 iso 0 dist 7.10557 11.2762 7.32347 10.9773 6.85028 5.39891 12.9821 6.3384 6.33524 8.04483 numMergedOcc 0
51 mol 282 unq 3 iso 0 dist 7.10557 11.2762 7.32347 6.28612 8.3411 10.5372 12.9821 6.3384 6.33524 13.5481 numMergedOcc 0
