0 mol 32 unq 0 iso 0 dist 7.33936 9.21854 8.34024 14.036 8.68559 14.1006 7.9487 7.18766 12.8992 7.93694 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 7.33936 9.21854 8.34024 14.036 8.68559 14.1006 12.0126 7.48825 8.39998 6.68431 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.10314 11.7008 9.18584 10.2391 8.09058 9.26483 10.9345 9.54797 13.7656 4.84988 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 5.45159 4.24061 8.20636 5.9827 6.192 6.93078 10.5932 6.3244 13.4385 8.00931 numMergedOcc 0
4 mol 127 unq 1 iso 0 dist 5.45159 4.24061 8.20636 7.79941 7.69308 10.6558 10.5932 6.3244 13.4385 6.85862 numMergedOcc 0
5 mol 127 unq 2 iso 0 dist 5.45159 4.24061 8.20636 13.8098 8.59981 16.0489 10.5932 6.3244 13.4385 4.77464 numMergedOcc 0
6 mol 127 unq 3 iso 0 dist 5.45159 4.24061 8.20636 12.0185 7.66331 12.8217 10.5932 6.3244 13.4385 7.11695 numMergedOcc 0
7 mol 127 unq 4 iso 0 dist 5.45159 11.1968 8.03243 5.9827 6.192 12.3873 10.5932 6.3244 7.34983 8.00931 numMergedOcc 0
8 mol 127 unq 5 iso 0 dist 5.45159 11.1968 8.03243 7.79941 7.69308 9.8591 10.5932 6.3244 7.34983 6.85862 numMergedOcc 0
9 mol 127 unq 6 iso 0 dist 5.45159 11.1968 8.03243 13.8098 8.59981 9.75166 10.5932 6.3244 7.34983 4.77464 numMergedOcc 0
10 mol 127 unq 7 iso 0 dist 5.45159 11.1968 8.03243 12.0185 7.66331 12.9471 10.5932 6.3244 7.34983 7.11695 numMergedOcc 0
11 mol 127 unq 8 iso 0 dist 4.9835 9.66028 8.20636 7.96613 6.192 6.93078 7.76684 6.3244 13.4385 8.00931 numMergedOcc 0
12 mol 127 unq 9 iso 0 dist 4.9835 9.66028 8.20636 6.32804 7.69308 10.6558 7.76684 6.3244 13.4385 6.85862 numMergedOcc 0
13 mol 127 unq 10 iso 0 dist 4.9835 9.66028 8.20636 11.5038 8.59981 16.0489 7.76684 6.3244 13.4385 4.77464 numMergedOcc 0
14 mol 127 unq 11 iso 0 dist 4.9835 9.66028 8.20636 12.1032 7.66331 12.8217 7.76684 6.3244 13.4385 7.11695 numMergedOcc 0
15 mol 127 unq 12 iso 0 dist 4.9835 6.02157 8.03243 7.96613 6.192 12.3873 7.76684 6.3244 7.34983 8.00931 numMergedOcc 0
16 mol 127 unq 13 iso 0 dist 4.9835 6.02157 8.03243 6.32804 7.69308 9.8591 7.76684 6.3244 7.34983 6.85862 numMergedOcc 0
17 mol 127 unq 14 iso 0 dist 4.9835 6.02157 8.03243 11.5038 8.59981 9.75166 7.76684 6.3244 7.34983 4.77464 numMergedOcc 0
18 mol 127 unq 15 iso 0 dist 4.9835 6.02157 8.03243 12.1032 7.66331 12.9471 7.76684 6.3244 7.34983 7.11695 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.61636 8.08082 8.25207 14.1314 7.92688 14.4683 10.6348 9.94276 11.0805 11.8989 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.61636 8.08082 8.25207 14.1314 7.92688 14.4683 6.47676 9.05357 5.6216 15.0734 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 6.61636 8.08082 8.25207 14.1314 7.92688 14.4683 6.95294 5.99299 11.5803 9.58627 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 8.54318 5.2941 5.64806 10.0656 7.16254 6.68061 6.40439 6.51096 5.84938 4.9093 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 8.54318 5.2941 5.64806 10.0656 7.16254 6.68061 6.76022 8.73171 9.52867 10.7896 numMergedOcc 0
24 mol 155 unq 2 iso 0 dist 8.54318 5.2941 5.64806 12.7034 9.14392 11.0287 6.40439 6.51096 5.84938 6.3437 numMergedOcc 0
25 mol 155 unq 3 iso 0 dist 8.54318 5.2941 5.64806 12.7034 9.14392 11.0287 6.76022 8.73171 9.52867 9.99927 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 7.33162 15.6753 9.25763 7.92818 7.93331 15.2665 14.5546 9.79554 5.56282 13.3053 numMergedOcc 0
27 mol 173 unq 1 iso 0 dist 7.33162 15.6753 9.25763 8.40346 6.98095 12.006 14.5546 9.79554 5.56282 8.94065 numMergedOcc 0
28 mol 173 unq 2 iso 0 dist 7.33162 15.6753 9.25763 11.3291 8.31897 14.7376 14.5546 9.79554 5.56282 14.2537 numMergedOcc 0
29 mol 173 unq 3 iso 0 dist 7.33162 16.6412 9.63102 7.92818 7.93331 14.1226 14.5546 9.79554 7.17381 13.3053 numMergedOcc 0
30 mol 173 unq 4 iso 0 dist 7.33162 16.6412 9.63102 8.40346 6.98095 11.6705 14.5546 9.79554 7.17381 8.94065 numMergedOcc 0
31 mol 173 unq 5 iso 0 dist 7.33162 16.6412 9.63102 11.3291 8.31897 12.3698 14.5546 9.79554 7.17381 14.2537 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 6.37369 9.25003 8.11377 10.8811 9.62609 5.70988 6.0465 6.152 10.3655 8.8709 numMergedOcc 0
33 mol 228 unq 0 iso 0 dist 8.10816 6.74578 9.58356 5.85714 8.06181 6.29965 6.24124 8.37287 10.3782 4.81881 numMergedOcc 0
34 mol 228 unq 1 iso 0 dist 8.10816 6.74578 9.58356 10.5025 8.38048 10.5936 6.24124 8.37287 10.3782 6.5952 numMergedOcc 0
35 mol 228 unq 2 iso 0 dist 8.10816 6.74578 9.58356 14.2891 7.65132 14.6816 6.24124 8.37287 10.3782 11.1604 numMergedOcc 0
36 mol 228 unq 3 iso 0 dist 8.10816 6.74578 9.58356 10.0386 8.53764 6.01863 6.24124 8.37287 10.3782 10.1917 numMergedOcc 0
37 mol 228 unq 4 iso 0 dist 7.81837 16.0476 9.58356 14.5035 8.06181 6.29965 14.7313 8.37287 10.3782 4.81881 numMergedOcc 0
38 mol 228 unq 5 iso 0 dist 7.81837 16.0476 9.58356 11.9658 8.38048 10.5936 14.7313 8.37287 10.3782 6.5952 numMergedOcc 0
39 mol 228 unq 6 iso 0 dist 7.81837 16.0476 9.58356 5.84747 7.65132 14.6816 14.7313 8.37287 10.3782 11.1604 numMergedOcc 0
40 mol 228 unq 7 iso 0 dist 7.81837 16.0476 9.58356 12.7016 8.53764 6.01863 14.7313 8.37287 10.3782 10.1917 numMergedOcc 0
41 mol 228 unq 8 iso 0 dist 7.95486 6.68691 9.29522 5.79543 7.77367 6.30523 6.22795 8.07174 10.3257 4.75417 numMergedOcc 0
42 mol 228 unq 9 iso 0 dist 7.95486 6.68691 9.29522 10.4968 8.20909 10.5683 6.22795 8.07174 10.3257 6.53802 numMergedOcc 0
43 mol 228 unq 10 iso 0 dist 7.95486 6.68691 9.29522 14.5051 7.94506 14.9669 6.22795 8.07174 10.3257 11.0908 numMergedOcc 0
44 mol 228 unq 11 iso 0 dist 7.95486 6.68691 9.29522 10.0847 8.15494 6.21036 6.22795 8.07174 10.3257 10.0837 numMergedOcc 0
45 mol 228 unq 12 iso 0 dist 7.97746 16.1131 9.29522 14.4066 7.77367 6.30523 14.3906 8.07174 10.3257 4.75417 numMergedOcc 0
46 mol 228 unq 13 iso 0 dist 7.97746 16.1131 9.29522 11.8013 8.20909 10.5683 14.3906 8.07174 10.3257 6.53802 numMergedOcc 0
47 mol 228 unq 14 iso 0 dist 7.97746 16.1131 9.29522 5.70777 7.94506 14.9669 14.3906 8.07174 10.3257 11.0908 numMergedOcc 0
48 mol 228 unq 15 iso 0 dist 7.97746 16.1131 9.29522 12.5209 8.15494 6.21036 14.3906 8.07174 10.3257 10.0837 numMergedOcc 0
49 mol 293 unq 0 iso 0 dist 8.93207 4.04746 7.59622 6.98777 9.97212 6.85131 10.3752 9.70656 7.67133 5.82671 numMergedOcc 0
50 mol 293 unq 1 iso 0 dist 8.93207 4.04746 7.59622 6.98777 9.97212 6.85131 9.54091 6.33356 6.09311 8.15509 numMergedOcc 0
51 mol 293 unq 2 iso 0 dist 7.2668 8.09709 7.59622 5.67215 9.97212 6.85131 9.52493 9.70656 7.67133 5.82671 numMergedOcc 0
52 mol 293 unq 3 iso 0 dist 7.2668 8.09709 7.59622 5.67215 9.97212 6.85131 9.50787 6.33356 6.09311 8.15509 numMergedOcc 0
53 mol 293 unq 4 iso 0 dist 8.88355 10.8403 7.59622 6.91752 9.97212 6.85131 6.17637 9.70656 7.67133 5.82671 numMergedOcc 0
54 mol 293 unq 5 iso 0 dist 8.88355 10.8403 7.59622 6.91752 9.97212 6.85131 7.77971 6.33356 6.09311 8.15509 numMergedOcc 0
55 mol 294 unq 0 iso 0 dist 8.05845 5.61811 9.20616 6.6414 9.03492 11.0443 5.49132 7.72845 5.9596 6.46298 numMergedOcc 0
56 mol 294 unq 1 iso 0 dist 8.73893 7.6162 9.20616 15.587 9.03492 11.0443 10.5548 7.72845 5.9596 6.46298 numMergedOcc 0
