0 mol 1 unq 0 iso 0 dist 9.72447 14.3702 9.78935 15.0107 10.8375 8.56884 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.61253 6.16417 5.46588 13.2172 5.95251 8.99126 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.89531 4.77288 5.46588 13.1475 5.95251 8.99126 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.96529 6.1932 5.36258 12.9168 6.57145 8.23643 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.96529 6.1932 5.36258 10.9975 6.01189 8.73972 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 9.39332 10.0163 5.36258 12.4855 6.57145 8.23643 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 9.39332 10.0163 5.36258 14.8314 6.01189 8.73972 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.04237 6.15423 9.10314 13.1367 10.2391 8.09058 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 8.53459 4.70344 5.53875 10.615 5.92411 6.91734 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.26423 8.344 9.20253 12.3714 8.34147 6.23899 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 8.82919 17.4568 9.20253 16.7897 8.34147 6.23899 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 5.68303 4.55484 8.18002 9.74289 13.0823 7.96497 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 6.76977 8.67697 7.14313 8.70094 5.2027 6.33365 numMergedOcc 0
13 mol 75 unq 1 iso 0 dist 6.76977 8.67697 7.14313 10.0492 6.77761 5.15851 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.01453 6.96217 7.41608 11.806 5.81718 9.80862 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.01453 9.50368 6.36583 11.3942 6.24736 6.19042 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 7.01453 9.50368 6.36583 11.806 5.81718 8.43904 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 8.45627 4.25039 7.41608 12.6483 5.81718 9.80862 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 8.45627 7.48647 6.36583 11.2168 6.24736 6.19042 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 8.45627 7.48647 6.36583 12.6483 5.81718 8.43904 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 7.88328 4.95538 5.45159 10.8674 5.9827 6.192 numMergedOcc 0
21 mol 127 unq 1 iso 0 dist 7.88328 4.95538 5.45159 10.8987 7.79941 7.69308 numMergedOcc 0
22 mol 127 unq 2 iso 0 dist 7.88328 4.95538 5.45159 10.5533 13.8098 8.59981 numMergedOcc 0
23 mol 127 unq 3 iso 0 dist 7.88328 4.95538 5.45159 11.3531 12.0185 7.66331 numMergedOcc 0
24 mol 127 unq 4 iso 0 dist 5.33851 4.95538 4.9835 10.8674 7.96613 6.192 numMergedOcc 0
25 mol 127 unq 5 iso 0 dist 5.33851 4.95538 4.9835 10.8987 6.32804 7.69308 numMergedOcc 0
26 mol 127 unq 6 iso 0 dist 5.33851 4.95538 4.9835 10.5533 11.5038 8.59981 numMergedOcc 0
27 mol 127 unq 7 iso 0 dist 5.33851 4.95538 4.9835 11.3531 12.1032 7.66331 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 4.85278 6.76195 7.33162 11.173 7.92818 7.93331 numMergedOcc 0
29 mol 173 unq 1 iso 0 dist 4.85278 6.76195 7.33162 9.72828 8.40346 6.98095 numMergedOcc 0
30 mol 173 unq 2 iso 0 dist 4.85278 6.76195 7.33162 13.8096 11.3291 8.31897 numMergedOcc 0
31 mol 183 unq 0 iso 0 dist 7.23572 6.06625 8.57818 14.6463 12.3545 9.93083 numMergedOcc 0
32 mol 183 unq 1 iso 0 dist 7.23572 6.06625 8.57818 9.60878 5.72 7.01383 numMergedOcc 0
33 mol 187 unq 0 iso 0 dist 8.71134 5.83106 8.9148 13.0002 10.0429 9.27478 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 6.86845 5.38513 6.37369 14.6311 10.8811 9.62609 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 8.97396 4.78441 6.37369 13.2454 10.8811 9.62609 numMergedOcc 0
36 mol 228 unq 0 iso 0 dist 8.53297 13.1757 7.81837 20.6416 14.5035 8.06181 numMergedOcc 0
37 mol 228 unq 1 iso 0 dist 8.53297 13.1757 7.81837 18.5287 11.9658 8.38048 numMergedOcc 0
38 mol 228 unq 2 iso 0 dist 8.53297 13.1757 7.81837 12.4243 5.84747 7.65132 numMergedOcc 0
39 mol 228 unq 3 iso 0 dist 8.53297 13.1757 7.81837 20.4482 12.7016 8.53764 numMergedOcc 0
40 mol 228 unq 4 iso 0 dist 9.23333 13.0333 7.81837 19.3258 14.5035 8.06181 numMergedOcc 0
41 mol 228 unq 5 iso 0 dist 9.23333 13.0333 7.81837 18.3817 11.9658 8.38048 numMergedOcc 0
42 mol 228 unq 6 iso 0 dist 9.23333 13.0333 7.81837 14.0858 5.84747 7.65132 numMergedOcc 0
43 mol 228 unq 7 iso 0 dist 9.23333 13.0333 7.81837 15.5497 12.7016 8.53764 numMergedOcc 0
44 mol 228 unq 8 iso 0 dist 7.24491 8.00573 7.81837 14.9699 14.5035 8.06181 numMergedOcc 0
45 mol 228 unq 9 iso 0 dist 7.24491 8.00573 7.81837 14.9055 11.9658 8.38048 numMergedOcc 0
46 mol 228 unq 10 iso 0 dist 7.24491 8.00573 7.81837 11.5512 5.84747 7.65132 numMergedOcc 0
47 mol 228 unq 11 iso 0 dist 7.24491 8.00573 7.81837 12.522 12.7016 8.53764 numMergedOcc 0
48 mol 228 unq 12 iso 0 dist 6.02491 5.55391 7.81837 13.6129 14.5035 8.06181 numMergedOcc 0
49 mol 228 unq 13 iso 0 dist 6.02491 5.55391 7.81837 13.2424 11.9658 8.38048 numMergedOcc 0
50 mol 228 unq 14 iso 0 dist 6.02491 5.55391 7.81837 9.51602 5.84747 7.65132 numMergedOcc 0
51 mol 228 unq 15 iso 0 dist 6.02491 5.55391 7.81837 13.2974 12.7016 8.53764 numMergedOcc 0
52 mol 228 unq 16 iso 0 dist 9.21065 12.8284 7.97746 19.0789 14.4066 7.77367 numMergedOcc 0
53 mol 228 unq 17 iso 0 dist 9.21065 12.8284 7.97746 18.0674 11.8013 8.20909 numMergedOcc 0
54 mol 228 unq 18 iso 0 dist 9.21065 12.8284 7.97746 13.9612 5.70777 7.94506 numMergedOcc 0
55 mol 228 unq 19 iso 0 dist 9.21065 12.8284 7.97746 15.225 12.5209 8.15494 numMergedOcc 0
56 mol 228 unq 20 iso 0 dist 7.65917 7.6598 7.97746 14.5059 14.4066 7.77367 numMergedOcc 0
57 mol 228 unq 21 iso 0 dist 7.65917 7.6598 7.97746 14.5922 11.8013 8.20909 numMergedOcc 0
58 mol 228 unq 22 iso 0 dist 7.65917 7.6598 7.97746 11.7314 5.70777 7.94506 numMergedOcc 0
59 mol 228 unq 23 iso 0 dist 7.65917 7.6598 7.97746 12.1044 12.5209 8.15494 numMergedOcc 0
60 mol 228 unq 24 iso 0 dist 5.89577 5.86537 7.97746 13.6177 14.4066 7.77367 numMergedOcc 0
61 mol 228 unq 25 iso 0 dist 5.89577 5.86537 7.97746 13.1604 11.8013 8.20909 numMergedOcc 0
62 mol 228 unq 26 iso 0 dist 5.89577 5.86537 7.97746 9.46214 5.70777 7.94506 numMergedOcc 0
63 mol 228 unq 27 iso 0 dist 5.89577 5.86537 7.97746 13.2291 12.5209 8.15494 numMergedOcc 0
64 mol 228 unq 28 iso 0 dist 8.6694 13.673 7.97746 20.7736 14.4066 7.77367 numMergedOcc 0
65 mol 228 unq 29 iso 0 dist 8.6694 13.673 7.97746 18.6643 11.8013 8.20909 numMergedOcc 0
66 mol 228 unq 30 iso 0 dist 8.6694 13.673 7.97746 12.4731 5.70777 7.94506 numMergedOcc 0
67 mol 228 unq 31 iso 0 dist 8.6694 13.673 7.97746 20.4771 12.5209 8.15494 numMergedOcc 0
68 mol 233 unq 0 iso 0 dist 8.41604 6.99665 5.64376 9.39439 7.92104 9.43203 numMergedOcc 0
69 mol 236 unq 0 iso 0 dist 7.73969 9.3775 5.77356 6.0087 5.27568 7.17676 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 7.73969 9.3775 5.77356 12.1533 7.77821 5.34718 numMergedOcc 0
71 mol 236 unq 2 iso 0 dist 7.73969 4.59056 9.24309 6.0087 5.27568 6.68463 numMergedOcc 0
72 mol 249 unq 0 iso 0 dist 8.21137 5.8923 9.02486 10.1217 6.28944 8.96876 numMergedOcc 0
73 mol 249 unq 1 iso 0 dist 8.21137 5.8923 9.02486 13.7192 12.5843 8.83735 numMergedOcc 0
74 mol 258 unq 0 iso 0 dist 9.27225 4.7348 6.73928 8.14812 4.6881 6.49982 numMergedOcc 0
