0 mol 16 unq 0 iso 0 dist 9.47421 10.3638 5.77753 12.558 7.03948 5.38671 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.47421 10.3638 5.77753 5.66097 5.47769 5.45161 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.47421 10.3638 5.77753 6.06561 6.58035 6.43294 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 5.36258 6.1852 9.04865 6.57145 8.23643 12.4435 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 5.36258 6.1852 9.04865 6.01189 8.73972 9.84922 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 7.38586 7.3067 8.038 5.62318 6.08338 10.7452 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.33936 9.21854 8.34024 14.036 8.68559 14.1006 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.10314 11.7008 9.18584 10.2391 8.09058 9.26483 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.10708 12.9966 5.45575 7.43198 6.23899 8.14829 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 8.42956 8.78405 5.45575 4.60667 6.23899 8.14829 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 9.20253 12.0354 5.45575 8.34147 6.23899 8.14829 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 5.92974 5.27212 7.19209 6.06775 9.10189 7.70573 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.00131 5.88809 8.15367 6.09495 8.36431 11.9657 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 6.793 5.51997 9.50209 7.49575 9.94856 5.54551 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.81198 9.42841 5.60716 12.0855 6.87861 5.56084 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 8.81198 9.42841 5.60716 5.74878 6.50039 5.71451 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 8.81198 5.14617 5.52706 12.0855 6.87861 6.98664 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 8.81198 5.14617 5.52706 5.74878 6.50039 5.889 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 5.45159 4.24061 8.20636 5.9827 6.192 6.93078 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 5.45159 4.24061 8.20636 7.79941 7.69308 10.6558 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 5.45159 4.24061 8.20636 13.8098 8.59981 16.0489 numMergedOcc 0
21 mol 127 unq 3 iso 0 dist 5.45159 4.24061 8.20636 12.0185 7.66331 12.8217 numMergedOcc 0
22 mol 127 unq 4 iso 0 dist 5.45159 11.1968 8.03243 5.9827 6.192 12.3873 numMergedOcc 0
23 mol 127 unq 5 iso 0 dist 5.45159 11.1968 8.03243 7.79941 7.69308 9.8591 numMergedOcc 0
24 mol 127 unq 6 iso 0 dist 5.45159 11.1968 8.03243 13.8098 8.59981 9.75166 numMergedOcc 0
25 mol 127 unq 7 iso 0 dist 5.45159 11.1968 8.03243 12.0185 7.66331 12.9471 numMergedOcc 0
26 mol 127 unq 8 iso 0 dist 4.9835 9.66028 8.20636 7.96613 6.192 6.93078 numMergedOcc 0
27 mol 127 unq 9 iso 0 dist 4.9835 9.66028 8.20636 6.32804 7.69308 10.6558 numMergedOcc 0
28 mol 127 unq 10 iso 0 dist 4.9835 9.66028 8.20636 11.5038 8.59981 16.0489 numMergedOcc 0
29 mol 127 unq 11 iso 0 dist 4.9835 9.66028 8.20636 12.1032 7.66331 12.8217 numMergedOcc 0
30 mol 127 unq 12 iso 0 dist 4.9835 6.02157 8.03243 7.96613 6.192 12.3873 numMergedOcc 0
31 mol 127 unq 13 iso 0 dist 4.9835 6.02157 8.03243 6.32804 7.69308 9.8591 numMergedOcc 0
32 mol 127 unq 14 iso 0 dist 4.9835 6.02157 8.03243 11.5038 8.59981 9.75166 numMergedOcc 0
33 mol 127 unq 15 iso 0 dist 4.9835 6.02157 8.03243 12.1032 7.66331 12.9471 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.61636 8.08082 8.25207 14.1314 7.92688 14.4683 numMergedOcc 0
35 mol 155 unq 0 iso 0 dist 8.54318 5.2941 5.64806 10.0656 7.16254 6.68061 numMergedOcc 0
36 mol 155 unq 1 iso 0 dist 8.54318 5.2941 5.64806 12.7034 9.14392 11.0287 numMergedOcc 0
37 mol 173 unq 0 iso 0 dist 7.33162 15.6753 9.25763 7.92818 7.93331 15.2665 numMergedOcc 0
38 mol 173 unq 1 iso 0 dist 7.33162 15.6753 9.25763 8.40346 6.98095 12.006 numMergedOcc 0
39 mol 173 unq 2 iso 0 dist 7.33162 15.6753 9.25763 11.3291 8.31897 14.7376 numMergedOcc 0
40 mol 173 unq 3 iso 0 dist 7.33162 16.6412 9.63102 7.92818 7.93331 14.1226 numMergedOcc 0
41 mol 173 unq 4 iso 0 dist 7.33162 16.6412 9.63102 8.40346 6.98095 11.6705 numMergedOcc 0
42 mol 173 unq 5 iso 0 dist 7.33162 16.6412 9.63102 11.3291 8.31897 12.3698 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 7.46845 4.56782 5.04916 5.90074 7.18956 4.28891 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 6.37369 9.25003 8.11377 10.8811 9.62609 5.70988 numMergedOcc 0
45 mol 227 unq 1 iso 0 dist 9.47836 9.98274 9.69775 5.14019 7.22914 5.0258 numMergedOcc 0
46 mol 228 unq 0 iso 0 dist 8.10816 6.74578 9.58356 5.85714 8.06181 6.29965 numMergedOcc 0
47 mol 228 unq 1 iso 0 dist 8.10816 6.74578 9.58356 10.5025 8.38048 10.5936 numMergedOcc 0
48 mol 228 unq 2 iso 0 dist 8.10816 6.74578 9.58356 14.2891 7.65132 14.6816 numMergedOcc 0
49 mol 228 unq 3 iso 0 dist 8.10816 6.74578 9.58356 10.0386 8.53764 6.01863 numMergedOcc 0
50 mol 228 unq 4 iso 0 dist 7.81837 16.0476 9.58356 14.5035 8.06181 6.29965 numMergedOcc 0
51 mol 228 unq 5 iso 0 dist 7.81837 16.0476 9.58356 11.9658 8.38048 10.5936 numMergedOcc 0
52 mol 228 unq 6 iso 0 dist 7.81837 16.0476 9.58356 5.84747 7.65132 14.6816 numMergedOcc 0
53 mol 228 unq 7 iso 0 dist 7.81837 16.0476 9.58356 12.7016 8.53764 6.01863 numMergedOcc 0
54 mol 228 unq 8 iso 0 dist 7.95486 6.68691 9.29522 5.79543 7.77367 6.30523 numMergedOcc 0
55 mol 228 unq 9 iso 0 dist 7.95486 6.68691 9.29522 10.4968 8.20909 10.5683 numMergedOcc 0
56 mol 228 unq 10 iso 0 dist 7.95486 6.68691 9.29522 14.5051 7.94506 14.9669 numMergedOcc 0
57 mol 228 unq 11 iso 0 dist 7.95486 6.68691 9.29522 10.0847 8.15494 6.21036 numMergedOcc 0
58 mol 228 unq 12 iso 0 dist 7.97746 16.1131 9.29522 14.4066 7.77367 6.30523 numMergedOcc 0
59 mol 228 unq 13 iso 0 dist 7.97746 16.1131 9.29522 11.8013 8.20909 10.5683 numMergedOcc 0
60 mol 228 unq 14 iso 0 dist 7.97746 16.1131 9.29522 5.70777 7.94506 14.9669 numMergedOcc 0
61 mol 228 unq 15 iso 0 dist 7.97746 16.1131 9.29522 12.5209 8.15494 6.21036 numMergedOcc 0
62 mol 247 unq 0 iso 0 dist 9.70618 9.34097 9.76031 5.61078 6.6838 6.24101 numMergedOcc 0
63 mol 278 unq 0 iso 0 dist 8.56781 8.32388 7.76881 4.69872 6.35287 9.40662 numMergedOcc 0
64 mol 278 unq 1 iso 0 dist 9.95186 4.98313 7.76881 8.66976 6.35287 9.40662 numMergedOcc 0
65 mol 282 unq 0 iso 0 dist 7.10557 8.36397 5.2527 10.9773 6.85028 4.85461 numMergedOcc 0
66 mol 282 unq 1 iso 0 dist 7.10557 8.36397 5.2527 11.2762 7.32347 8.85797 numMergedOcc 0
67 mol 282 unq 2 iso 0 dist 7.10557 8.36397 5.2527 6.28612 8.3411 5.43514 numMergedOcc 0
68 mol 293 unq 0 iso 0 dist 8.93207 4.04746 7.59622 6.98777 9.97212 6.85131 numMergedOcc 0
69 mol 293 unq 1 iso 0 dist 7.2668 8.09709 7.59622 5.67215 9.97212 6.85131 numMergedOcc 0
70 mol 293 unq 2 iso 0 dist 8.88355 10.8403 7.59622 6.91752 9.97212 6.85131 numMergedOcc 0
71 mol 294 unq 0 iso 0 dist 8.05845 5.61811 9.20616 6.6414 9.03492 11.0443 numMergedOcc 0
72 mol 294 unq 1 iso 0 dist 8.73893 7.6162 9.20616 15.587 9.03492 11.0443 numMergedOcc 0
