0 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 9.30028 13.3652 9.65174 7.7447 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 9.30028 13.3652 11.5255 7.7447 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 21.9971 12.5638 11.2834 6.67678 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 21.7795 12.4215 11.0824 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 14.4051 5.99863 9.30843 8.28591 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 15.275 6.15015 10.0605 9.40687 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 9.81831 11.6865 5.51624 13.1721 5.99269 5.77343 14.4051 5.99863 9.30843 5.35008 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 9.81831 11.6865 5.51624 13.1721 5.99269 5.77343 15.275 6.15015 10.0605 8.84576 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 14.4051 5.99863 9.30843 8.30921 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 15.275 6.15015 10.0605 7.39732 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 18.8402 10.9803 15.3416 9.67744 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 21.9971 12.5638 16.8123 6.67678 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 21.7795 12.4215 17.3928 7.24956 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 14.4051 5.99863 6.25522 8.28591 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 15.275 6.15015 7.87145 9.40687 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 14.4051 5.99863 6.25522 5.35008 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 15.275 6.15015 7.87145 8.84576 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 14.4051 5.99863 6.25522 8.30921 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 15.275 6.15015 7.87145 7.39732 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 18.8402 10.9803 9.30914 9.67744 numMergedOcc 0
20 mol 93 unq 18 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 18.9177 12.5638 11.2834 6.67678 numMergedOcc 0
21 mol 93 unq 19 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 18.5963 12.4215 11.0824 7.24956 numMergedOcc 0
22 mol 93 unq 20 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 14.2439 5.99863 9.30843 8.28591 numMergedOcc 0
23 mol 93 unq 21 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 15.2216 6.15015 10.0605 9.40687 numMergedOcc 0
24 mol 93 unq 22 iso 0 dist 9.12858 7.64463 5.51624 11.0537 5.99269 5.77343 14.2439 5.99863 9.30843 5.35008 numMergedOcc 0
25 mol 93 unq 23 iso 0 dist 9.12858 7.64463 5.51624 11.0537 5.99269 5.77343 15.2216 6.15015 10.0605 8.84576 numMergedOcc 0
26 mol 93 unq 24 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 14.2439 5.99863 9.30843 8.30921 numMergedOcc 0
27 mol 93 unq 25 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 15.2216 6.15015 10.0605 7.39732 numMergedOcc 0
28 mol 93 unq 26 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 19.9253 10.9803 15.3416 9.67744 numMergedOcc 0
29 mol 93 unq 27 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 18.9177 12.5638 16.8123 6.67678 numMergedOcc 0
30 mol 93 unq 28 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 18.5963 12.4215 17.3928 7.24956 numMergedOcc 0
31 mol 93 unq 29 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 14.2439 5.99863 6.25522 8.28591 numMergedOcc 0
32 mol 93 unq 30 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 15.2216 6.15015 7.87145 9.40687 numMergedOcc 0
33 mol 93 unq 31 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 14.2439 5.99863 6.25522 5.35008 numMergedOcc 0
34 mol 93 unq 32 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 15.2216 6.15015 7.87145 8.84576 numMergedOcc 0
35 mol 93 unq 33 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 14.2439 5.99863 6.25522 8.30921 numMergedOcc 0
36 mol 93 unq 34 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 15.2216 6.15015 7.87145 7.39732 numMergedOcc 0
37 mol 93 unq 35 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 19.9253 10.9803 9.30914 9.67744 numMergedOcc 0
38 mol 93 unq 36 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 17.12 12.5638 11.2834 6.67678 numMergedOcc 0
39 mol 93 unq 37 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 17.9688 12.4215 11.0824 7.24956 numMergedOcc 0
40 mol 93 unq 38 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 11.2863 5.99863 9.30843 8.28591 numMergedOcc 0
41 mol 93 unq 39 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 14.6786 6.15015 10.0605 9.40687 numMergedOcc 0
42 mol 93 unq 40 iso 0 dist 9.4523 8.29171 5.51624 7.14217 5.99269 5.77343 11.2863 5.99863 9.30843 5.35008 numMergedOcc 0
43 mol 93 unq 41 iso 0 dist 9.4523 8.29171 5.51624 7.14217 5.99269 5.77343 14.6786 6.15015 10.0605 8.84576 numMergedOcc 0
44 mol 93 unq 42 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 11.2863 5.99863 9.30843 8.30921 numMergedOcc 0
45 mol 93 unq 43 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 14.6786 6.15015 10.0605 7.39732 numMergedOcc 0
46 mol 93 unq 44 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 19.377 10.9803 15.3416 9.67744 numMergedOcc 0
47 mol 93 unq 45 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 17.12 12.5638 16.8123 6.67678 numMergedOcc 0
48 mol 93 unq 46 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 17.9688 12.4215 17.3928 7.24956 numMergedOcc 0
49 mol 93 unq 47 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 11.2863 5.99863 6.25522 8.28591 numMergedOcc 0
50 mol 93 unq 48 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 14.6786 6.15015 7.87145 9.40687 numMergedOcc 0
51 mol 93 unq 49 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 11.2863 5.99863 6.25522 5.35008 numMergedOcc 0
52 mol 93 unq 50 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 14.6786 6.15015 7.87145 8.84576 numMergedOcc 0
53 mol 93 unq 51 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 11.2863 5.99863 6.25522 8.30921 numMergedOcc 0
54 mol 93 unq 52 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 14.6786 6.15015 7.87145 7.39732 numMergedOcc 0
55 mol 93 unq 53 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 19.377 10.9803 9.30914 9.67744 numMergedOcc 0
56 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 6.9194 9.6121 6.71103 10.1864 10.7475 7.62197 4.55071 numMergedOcc 0
57 mol 119 unq 1 iso 0 dist 7.77116 6.08167 7.6968 6.9194 9.6121 12.4868 10.1864 10.7475 15.1131 4.55071 numMergedOcc 0
58 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 4.57579 6.78801 4.24991 11.6414 9.93041 4.48699 8.49847 numMergedOcc 0
59 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 8.57203 6.78801 4.24991 15.2551 9.93041 4.48699 8.49847 numMergedOcc 0
60 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 12.6005 6.78801 4.24991 18.8134 9.93041 4.48699 8.49847 numMergedOcc 0
61 mol 152 unq 0 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 6.79114 4.78989 5.42715 8.60651 numMergedOcc 0
62 mol 152 unq 1 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 6.79114 4.78989 7.34557 8.60651 numMergedOcc 0
63 mol 171 unq 0 iso 0 dist 9.11712 8.26419 9.75627 4.00127 8.999 6.1593 11.9039 11.6193 14.1672 9.68512 numMergedOcc 0
64 mol 186 unq 0 iso 0 dist 9.56197 9.27818 7.55358 6.89047 8.57801 13.0608 14.8324 9.28201 16.601 8.92135 numMergedOcc 0
65 mol 186 unq 1 iso 0 dist 9.56197 9.55926 7.60991 6.89047 8.57801 11.868 14.8324 9.28201 15.3973 8.92135 numMergedOcc 0
66 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 3.90244 8.57801 13.0608 5.90765 9.28201 16.601 8.92135 numMergedOcc 0
67 mol 186 unq 3 iso 0 dist 7.24795 12.9082 7.60991 3.90244 8.57801 11.868 5.90765 9.28201 15.3973 8.92135 numMergedOcc 0
68 mol 186 unq 4 iso 0 dist 8.64409 4.37002 7.55358 12.6058 8.57801 13.0608 17.3863 9.28201 16.601 8.92135 numMergedOcc 0
69 mol 186 unq 5 iso 0 dist 8.64409 4.64235 7.60991 12.6058 8.57801 11.868 17.3863 9.28201 15.3973 8.92135 numMergedOcc 0
70 mol 186 unq 6 iso 0 dist 7.60202 9.72941 7.55358 7.21555 8.57801 13.0608 13.011 9.28201 16.601 8.92135 numMergedOcc 0
71 mol 186 unq 7 iso 0 dist 7.60202 5.39885 7.60991 7.21555 8.57801 11.868 13.011 9.28201 15.3973 8.92135 numMergedOcc 0
72 mol 186 unq 8 iso 0 dist 9.83476 6.87725 8.12349 13.6744 7.04815 9.57029 11.8448 6.50208 11.6111 6.94594 numMergedOcc 0
73 mol 186 unq 9 iso 0 dist 9.83476 6.87725 8.12349 13.6744 7.04815 9.57029 10.0218 6.3786 9.12783 5.81881 numMergedOcc 0
74 mol 186 unq 10 iso 0 dist 9.83476 6.87725 8.12349 15.0914 6.07389 10.8203 15.2176 8.54557 13.9314 9.4366 numMergedOcc 0
75 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 9.52922 7.82899 5.13892 4.45769 numMergedOcc 0
76 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 11.7672 10.0237 5.78717 5.89939 numMergedOcc 0
77 mol 194 unq 2 iso 0 dist 6.26839 5.4499 9.81666 10.0756 5.53324 11.0713 9.52922 7.82899 8.2232 4.45769 numMergedOcc 0
78 mol 194 unq 3 iso 0 dist 6.26839 5.4499 9.81666 10.0756 5.53324 11.0713 11.7672 10.0237 10.3448 5.89939 numMergedOcc 0
79 mol 194 unq 4 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 11.2599 7.82899 5.13892 4.45769 numMergedOcc 0
80 mol 194 unq 5 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 11.0369 10.0237 5.78717 5.89939 numMergedOcc 0
81 mol 194 unq 6 iso 0 dist 8.12346 11.0239 9.81666 10.2793 5.53324 11.0713 11.2599 7.82899 8.2232 4.45769 numMergedOcc 0
82 mol 194 unq 7 iso 0 dist 8.12346 11.0239 9.81666 10.2793 5.53324 11.0713 11.0369 10.0237 10.3448 5.89939 numMergedOcc 0
83 mol 194 unq 8 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 14.7152 7.82899 5.13892 4.45769 numMergedOcc 0
84 mol 194 unq 9 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 15.9798 10.0237 5.78717 5.89939 numMergedOcc 0
85 mol 194 unq 10 iso 0 dist 8.83356 18.6469 9.81666 10.463 5.53324 11.0713 14.7152 7.82899 8.2232 4.45769 numMergedOcc 0
86 mol 194 unq 11 iso 0 dist 8.83356 18.6469 9.81666 10.463 5.53324 11.0713 15.9798 10.0237 10.3448 5.89939 numMergedOcc 0
87 mol 194 unq 12 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 14.7929 7.82899 5.13892 4.45769 numMergedOcc 0
88 mol 194 unq 13 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 15.7836 10.0237 5.78717 5.89939 numMergedOcc 0
89 mol 194 unq 14 iso 0 dist 8.2654 13.5457 9.81666 12.8494 5.53324 11.0713 14.7929 7.82899 8.2232 4.45769 numMergedOcc 0
90 mol 194 unq 15 iso 0 dist 8.2654 13.5457 9.81666 12.8494 5.53324 11.0713 15.7836 10.0237 10.3448 5.89939 numMergedOcc 0
91 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 22.7648 13.9338 14.0772 8.74463 numMergedOcc 0
92 mol 251 unq 0 iso 0 dist 8.01198 6.6269 8.53757 4.86046 6.42747 8.08775 11.6079 10.3735 10.3962 7.72528 numMergedOcc 0
93 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 11.065 6.33781 11.6079 7.62991 numMergedOcc 0
94 mol 252 unq 1 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 14.2216 14.8966 8.38453 9.81261 numMergedOcc 0
95 mol 252 unq 2 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 12.8652 6.33781 11.6079 7.62991 numMergedOcc 0
96 mol 252 unq 3 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 12.9602 14.8966 8.38453 9.81261 numMergedOcc 0
97 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 14.7806 8.89888 12.5209 9.87744 numMergedOcc 0
98 mol 264 unq 1 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 10.4401 8.89888 12.5209 9.87744 numMergedOcc 0
99 mol 264 unq 2 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 14.1991 9.4435 13.784 8.55386 numMergedOcc 0
100 mol 264 unq 3 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 13.9142 9.4435 13.784 8.55386 numMergedOcc 0
