0 mol 32 unq 0 iso 0 dist 7.33936 14.036 8.68559 7.9487 7.18766 7.93694 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 7.33936 14.036 8.68559 12.0126 7.48825 6.68431 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.10314 10.2391 8.09058 10.9345 9.54797 4.84988 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 6.10515 8.4517 5.35421 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.64746 6.41829 9.54144 6.10515 8.4517 5.68303 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 9.46619 11.4646 7.72108 7.35957 6.6925 5.81128 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 9.46619 11.4646 7.72108 8.5606 7.12746 4.91474 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.45159 5.9827 6.192 10.5932 6.3244 8.00931 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 5.45159 7.79941 7.69308 10.5932 6.3244 6.85862 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 5.45159 13.8098 8.59981 10.5932 6.3244 4.77464 numMergedOcc 0
10 mol 127 unq 3 iso 0 dist 5.45159 12.0185 7.66331 10.5932 6.3244 7.11695 numMergedOcc 0
11 mol 127 unq 4 iso 0 dist 4.9835 7.96613 6.192 7.76684 6.3244 8.00931 numMergedOcc 0
12 mol 127 unq 5 iso 0 dist 4.9835 6.32804 7.69308 7.76684 6.3244 6.85862 numMergedOcc 0
13 mol 127 unq 6 iso 0 dist 4.9835 11.5038 8.59981 7.76684 6.3244 4.77464 numMergedOcc 0
14 mol 127 unq 7 iso 0 dist 4.9835 12.1032 7.66331 7.76684 6.3244 7.11695 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 10.6348 9.94276 11.8989 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.61636 14.1314 7.92688 6.47676 9.05357 15.0734 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.61636 14.1314 7.92688 6.95294 5.99299 9.58627 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 6.40439 6.51096 4.9093 numMergedOcc 0
19 mol 155 unq 1 iso 0 dist 8.54318 10.0656 7.16254 6.76022 8.73171 10.7896 numMergedOcc 0
20 mol 155 unq 2 iso 0 dist 8.54318 12.7034 9.14392 6.40439 6.51096 6.3437 numMergedOcc 0
21 mol 155 unq 3 iso 0 dist 8.54318 12.7034 9.14392 6.76022 8.73171 9.99927 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 7.33162 7.92818 7.93331 14.5546 9.79554 13.3053 numMergedOcc 0
23 mol 173 unq 1 iso 0 dist 7.33162 8.40346 6.98095 14.5546 9.79554 8.94065 numMergedOcc 0
24 mol 173 unq 2 iso 0 dist 7.33162 11.3291 8.31897 14.5546 9.79554 14.2537 numMergedOcc 0
25 mol 187 unq 0 iso 0 dist 7.9625 4.98423 9.27478 8.43209 7.01496 6.62321 numMergedOcc 0
26 mol 187 unq 1 iso 0 dist 8.9148 10.0429 9.27478 5.72599 7.01496 6.62321 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.76325 6.87755 7.06793 6.78713 8.89778 7.98696 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.85101 11.0252 7.06793 7.09867 8.89778 7.98696 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 6.0465 6.152 8.8709 numMergedOcc 0
30 mol 228 unq 0 iso 0 dist 9.91303 14.0089 9.42615 12.6531 7.46689 4.81881 numMergedOcc 0
31 mol 228 unq 1 iso 0 dist 4.55699 5.85714 9.42615 6.24124 7.46689 4.81881 numMergedOcc 0
32 mol 228 unq 2 iso 0 dist 8.10816 5.85714 8.06181 6.24124 8.37287 4.81881 numMergedOcc 0
33 mol 228 unq 3 iso 0 dist 8.10816 10.5025 8.38048 6.24124 8.37287 6.5952 numMergedOcc 0
34 mol 228 unq 4 iso 0 dist 8.10816 14.2891 7.65132 6.24124 8.37287 11.1604 numMergedOcc 0
35 mol 228 unq 5 iso 0 dist 8.10816 10.0386 8.53764 6.24124 8.37287 10.1917 numMergedOcc 0
36 mol 228 unq 6 iso 0 dist 7.81837 14.5035 8.06181 14.7313 8.37287 4.81881 numMergedOcc 0
37 mol 228 unq 7 iso 0 dist 7.81837 11.9658 8.38048 14.7313 8.37287 6.5952 numMergedOcc 0
38 mol 228 unq 8 iso 0 dist 7.81837 5.84747 7.65132 14.7313 8.37287 11.1604 numMergedOcc 0
39 mol 228 unq 9 iso 0 dist 7.81837 12.7016 8.53764 14.7313 8.37287 10.1917 numMergedOcc 0
40 mol 228 unq 10 iso 0 dist 7.95486 5.79543 7.77367 6.22795 8.07174 4.75417 numMergedOcc 0
41 mol 228 unq 11 iso 0 dist 7.95486 10.4968 8.20909 6.22795 8.07174 6.53802 numMergedOcc 0
42 mol 228 unq 12 iso 0 dist 7.95486 14.5051 7.94506 6.22795 8.07174 11.0908 numMergedOcc 0
43 mol 228 unq 13 iso 0 dist 7.95486 10.0847 8.15494 6.22795 8.07174 10.0837 numMergedOcc 0
44 mol 228 unq 14 iso 0 dist 4.42593 5.79543 9.06121 6.22795 7.09766 4.75417 numMergedOcc 0
45 mol 228 unq 15 iso 0 dist 7.97746 14.4066 7.77367 14.3906 8.07174 4.75417 numMergedOcc 0
46 mol 228 unq 16 iso 0 dist 7.97746 11.8013 8.20909 14.3906 8.07174 6.53802 numMergedOcc 0
47 mol 228 unq 17 iso 0 dist 7.97746 5.70777 7.94506 14.3906 8.07174 11.0908 numMergedOcc 0
48 mol 228 unq 18 iso 0 dist 7.97746 12.5209 8.15494 14.3906 8.07174 10.0837 numMergedOcc 0
49 mol 233 unq 0 iso 0 dist 5.64376 7.92104 9.43203 5.19718 9.2911 4.53103 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 11.7895 6.5772 8.82861 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 6.73928 4.6881 6.49982 6.42545 7.16259 5.95565 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 9.44826 7.02254 7.50578 12.0966 8.76313 11.5772 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 9.44826 7.02254 7.50578 5.92281 7.4363 7.44916 numMergedOcc 0
54 mol 284 unq 0 iso 0 dist 8.7448 4.59796 7.52785 11.2279 7.5746 7.29657 numMergedOcc 0
55 mol 293 unq 0 iso 0 dist 8.93207 6.98777 9.97212 10.3752 9.70656 5.82671 numMergedOcc 0
56 mol 293 unq 1 iso 0 dist 8.93207 6.98777 9.97212 9.54091 6.33356 8.15509 numMergedOcc 0
57 mol 293 unq 2 iso 0 dist 7.2668 5.67215 9.97212 9.52493 9.70656 5.82671 numMergedOcc 0
58 mol 293 unq 3 iso 0 dist 7.2668 5.67215 9.97212 9.50787 6.33356 8.15509 numMergedOcc 0
59 mol 293 unq 4 iso 0 dist 8.88355 6.91752 9.97212 6.17637 9.70656 5.82671 numMergedOcc 0
60 mol 293 unq 5 iso 0 dist 8.88355 6.91752 9.97212 7.77971 6.33356 8.15509 numMergedOcc 0
61 mol 294 unq 0 iso 0 dist 8.05845 6.6414 9.03492 5.49132 7.72845 6.46298 numMergedOcc 0
62 mol 294 unq 1 iso 0 dist 8.73893 15.587 9.03492 10.5548 7.72845 6.46298 numMergedOcc 0
