0 mol 5 unq 0 iso 0 dist 6.84403 9.86592 7.74636 6.46777 7.64769 5.31713 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 9.86592 7.74636 3.82801 8.31759 7.84244 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.76233 7.86632 9.89425 11.8533 6.83186 12.0683 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.00338 9.70457 5.99655 4.45723 9.2087 8.80559 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.32472 4.33564 6.52283 4.61111 4.75881 3.41186 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.12713 6.51519 5.4713 4.64633 3.77542 6.08836 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 7.12713 6.51519 5.4713 13.8401 9.97314 14.1986 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.0827 5.06459 8.93807 5.4275 4.46067 5.98227 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 5.23167 7.42892 7.16844 3.89181 4.46067 3.73834 numMergedOcc 0
9 mol 62 unq 2 iso 0 dist 7.47607 7.36253 7.16844 5.72955 4.46067 3.73834 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.82511 5.37144 8.19932 3.97203 7.7485 7.98805 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.26805 4.05111 5.45099 6.27527 7.66068 3.35924 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 5.61831 6.2597 9.57759 5.5308 7.66068 9.50354 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 5.61831 6.2597 9.57759 10.5881 9.5043 12.0331 numMergedOcc 0
14 mol 76 unq 3 iso 0 dist 5.61831 6.2597 9.57759 9.74852 8.34132 9.2434 numMergedOcc 0
15 mol 76 unq 4 iso 0 dist 9.68577 4.05111 8.44765 6.27527 9.5043 3.35924 numMergedOcc 0
16 mol 83 unq 0 iso 0 dist 9.75749 6.36916 5.35861 8.85486 7.50925 3.62753 numMergedOcc 0
17 mol 83 unq 1 iso 0 dist 9.75749 6.36916 5.35861 5.2891 6.96722 3.65203 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.61514 10.6609 4.29937 10.8634 6.67137 3.65186 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.61514 10.6609 4.29937 15.0522 9.78707 12.2971 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.61514 11.2518 3.65628 10.8634 6.67137 7.00044 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 7.61514 11.2518 3.65628 15.0522 9.78707 8.64367 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 7.61514 13.5746 9.77774 10.8634 6.67137 16.1804 numMergedOcc 0
23 mol 85 unq 5 iso 0 dist 7.61514 13.5746 9.77774 15.0522 9.78707 3.21259 numMergedOcc 0
24 mol 85 unq 6 iso 0 dist 8.21116 10.6609 5.37869 13.6965 7.07839 10.0372 numMergedOcc 0
25 mol 85 unq 7 iso 0 dist 8.21116 10.6609 5.37869 10.513 9.09711 11.8779 numMergedOcc 0
26 mol 85 unq 8 iso 0 dist 8.21116 10.6609 5.37869 10.8634 7.04244 3.65186 numMergedOcc 0
27 mol 85 unq 9 iso 0 dist 8.21116 10.6609 5.37869 12.6759 7.91193 11.7094 numMergedOcc 0
28 mol 85 unq 10 iso 0 dist 8.21116 10.6609 5.37869 15.0522 9.63449 12.2971 numMergedOcc 0
29 mol 85 unq 11 iso 0 dist 8.21116 11.2518 4.05415 13.6965 7.07839 8.78995 numMergedOcc 0
30 mol 85 unq 12 iso 0 dist 8.21116 11.2518 4.05415 10.513 9.09711 12.4835 numMergedOcc 0
31 mol 85 unq 13 iso 0 dist 8.21116 11.2518 4.05415 10.8634 7.04244 7.00044 numMergedOcc 0
32 mol 85 unq 14 iso 0 dist 8.21116 11.2518 4.05415 12.6759 7.91193 10.7591 numMergedOcc 0
33 mol 85 unq 15 iso 0 dist 8.21116 11.2518 4.05415 15.0522 9.63449 8.64367 numMergedOcc 0
34 mol 85 unq 16 iso 0 dist 8.21116 13.5746 9.97944 13.6965 7.07839 14.2664 numMergedOcc 0
35 mol 85 unq 17 iso 0 dist 8.21116 13.5746 9.97944 10.513 9.09711 17.9023 numMergedOcc 0
36 mol 85 unq 18 iso 0 dist 8.21116 13.5746 9.97944 10.8634 7.04244 16.1804 numMergedOcc 0
37 mol 85 unq 19 iso 0 dist 8.21116 13.5746 9.97944 12.6759 7.91193 15.1209 numMergedOcc 0
38 mol 85 unq 20 iso 0 dist 8.21116 13.5746 9.97944 15.0522 9.63449 3.21259 numMergedOcc 0
39 mol 107 unq 0 iso 0 dist 4.99934 4.05182 5.31375 10.9097 8.88124 9.65216 numMergedOcc 0
40 mol 107 unq 1 iso 0 dist 4.99934 4.05182 5.31375 4.34186 8.19484 8.32169 numMergedOcc 0
41 mol 107 unq 2 iso 0 dist 4.99934 4.11617 6.49371 10.9097 8.88124 10.4294 numMergedOcc 0
42 mol 107 unq 3 iso 0 dist 4.99934 4.11617 6.49371 4.34186 8.19484 3.40943 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 6.38269 7.6316 8.67025 10.3017 5.31126 9.59189 numMergedOcc 0
44 mol 113 unq 1 iso 0 dist 6.38269 7.6316 8.67025 10.3632 4.49669 10.1118 numMergedOcc 0
45 mol 113 unq 2 iso 0 dist 6.38269 7.6316 8.67025 9.86085 6.00221 8.19901 numMergedOcc 0
46 mol 113 unq 3 iso 0 dist 7.11196 12.7927 9.60127 10.3017 7.16619 13.8379 numMergedOcc 0
47 mol 113 unq 4 iso 0 dist 7.11196 12.7927 9.60127 10.3632 5.88896 8.39067 numMergedOcc 0
48 mol 120 unq 0 iso 0 dist 7.64841 7.24685 9.98772 5.37018 9.31385 3.28697 numMergedOcc 0
49 mol 120 unq 1 iso 0 dist 7.64841 7.24685 9.98772 5.79975 6.98791 4.5296 numMergedOcc 0
50 mol 143 unq 0 iso 0 dist 6.91039 9.37902 6.60366 4.62104 4.3855 5.94217 numMergedOcc 0
51 mol 169 unq 0 iso 0 dist 9.3206 9.997 7.65903 9.93901 5.10589 3.18152 numMergedOcc 0
52 mol 169 unq 1 iso 0 dist 6.18165 14.017 8.6961 6.5732 5.10589 9.60496 numMergedOcc 0
53 mol 169 unq 2 iso 0 dist 6.18165 14.017 8.6961 4.14139 4.63336 10.5251 numMergedOcc 0
54 mol 169 unq 3 iso 0 dist 6.18165 14.017 8.6961 7.73206 6.10715 8.67112 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 8.19926 14.4294 8.92135 4.32488 7.25595 14.4913 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 8.19926 14.4294 8.92135 12.1543 9.94825 5.43612 numMergedOcc 0
57 mol 194 unq 0 iso 0 dist 9.3032 10.739 4.45769 12.2934 5.10542 9.23342 numMergedOcc 0
58 mol 194 unq 1 iso 0 dist 9.3032 16.8793 8.99961 12.2934 5.10542 11.7699 numMergedOcc 0
59 mol 194 unq 2 iso 0 dist 8.10451 5.22745 4.45769 11.2635 5.10542 9.23342 numMergedOcc 0
60 mol 194 unq 3 iso 0 dist 8.10451 4.77336 8.99961 11.2635 5.10542 11.7699 numMergedOcc 0
61 mol 194 unq 4 iso 0 dist 6.6747 5.22745 5.89939 11.2635 4.68722 9.23342 numMergedOcc 0
62 mol 194 unq 5 iso 0 dist 6.6747 5.22745 5.89939 10.5989 5.18325 10.3782 numMergedOcc 0
63 mol 194 unq 6 iso 0 dist 6.6747 4.77336 8.18853 11.2635 4.68722 11.7699 numMergedOcc 0
64 mol 194 unq 7 iso 0 dist 6.6747 4.77336 8.18853 10.5989 5.18325 13.0759 numMergedOcc 0
65 mol 194 unq 8 iso 0 dist 6.28412 12.1687 5.89939 5.18799 4.68722 9.23342 numMergedOcc 0
66 mol 194 unq 9 iso 0 dist 6.28412 12.1687 5.89939 4.45047 5.18325 10.3782 numMergedOcc 0
67 mol 194 unq 10 iso 0 dist 6.28412 13.0722 8.18853 5.18799 4.68722 11.7699 numMergedOcc 0
68 mol 194 unq 11 iso 0 dist 6.28412 13.0722 8.18853 4.45047 5.18325 13.0759 numMergedOcc 0
