0 mol 43 unq 0 iso 0 dist 6.6263 8.13395 6.75943 10.8828 8.34145 5.07458 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 6.75943 8.13395 6.6263 5.07458 8.34145 10.8828 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.5087 8.07446 5.61588 6.41115 8.46627 5.9144 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 5.61588 8.07446 5.5087 5.9144 8.46627 6.41115 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.08682 8.07446 7.83244 6.41115 9.22208 5.9144 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 7.83244 8.07446 6.08682 5.9144 9.22208 6.41115 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.72869 10.2879 9.85905 5.31985 9.59729 15.4159 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 9.85905 10.2879 6.72869 15.4159 9.59729 5.31985 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 8.40422 5.52198 8.40425 10.6632 8.05579 9.32983 numMergedOcc 0
9 mol 89 unq 0 iso 1 dist 8.40425 5.52198 8.40422 9.32983 8.05579 10.6632 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 8.40422 9.1532 7.47974 10.6632 8.05579 10.4274 numMergedOcc 0
11 mol 89 unq 1 iso 1 dist 7.47974 9.1532 8.40422 10.4274 8.05579 10.6632 numMergedOcc 0
12 mol 89 unq 2 iso 0 dist 8.40422 6.50464 5.51831 10.6632 8.05579 6.13636 numMergedOcc 0
13 mol 89 unq 2 iso 1 dist 5.51831 6.50464 8.40422 6.13636 8.05579 10.6632 numMergedOcc 0
14 mol 89 unq 3 iso 0 dist 8.40422 6.54355 9.65149 10.6632 8.05579 6.14929 numMergedOcc 0
15 mol 89 unq 3 iso 1 dist 9.65149 6.54355 8.40422 6.14929 8.05579 10.6632 numMergedOcc 0
16 mol 89 unq 1 iso 0 dist 8.40425 4.8812 7.47974 9.32983 8.05579 10.4274 numMergedOcc 0
17 mol 89 unq 1 iso 1 dist 7.47974 4.8812 8.40425 10.4274 8.05579 9.32983 numMergedOcc 0
18 mol 89 unq 2 iso 0 dist 8.40425 8.46794 5.51831 9.32983 8.05579 6.13636 numMergedOcc 0
19 mol 89 unq 2 iso 1 dist 5.51831 8.46794 8.40425 6.13636 8.05579 9.32983 numMergedOcc 0
20 mol 89 unq 3 iso 0 dist 8.40425 7.1456 9.65149 9.32983 8.05579 6.14929 numMergedOcc 0
21 mol 89 unq 3 iso 1 dist 9.65149 7.1456 8.40425 6.14929 8.05579 9.32983 numMergedOcc 0
22 mol 89 unq 2 iso 0 dist 7.47974 10.4087 5.51831 10.4274 8.05579 6.13636 numMergedOcc 0
23 mol 89 unq 2 iso 1 dist 5.51831 10.4087 7.47974 6.13636 8.05579 10.4274 numMergedOcc 0
24 mol 89 unq 3 iso 0 dist 7.47974 10.8948 9.65149 10.4274 8.05579 6.14929 numMergedOcc 0
25 mol 89 unq 3 iso 1 dist 9.65149 10.8948 7.47974 6.14929 8.05579 10.4274 numMergedOcc 0
26 mol 89 unq 3 iso 0 dist 5.51831 5.45013 9.65149 6.13636 8.05579 6.14929 numMergedOcc 0
27 mol 89 unq 3 iso 1 dist 9.65149 5.45013 5.51831 6.14929 8.05579 6.13636 numMergedOcc 0
28 mol 105 unq 0 iso 0 dist 9.16718 5.68291 7.94633 4.4598 9.17843 8.50101 numMergedOcc 0
29 mol 105 unq 0 iso 1 dist 7.94633 5.68291 9.16718 8.50101 9.17843 4.4598 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 9.89083 7.15843 8.52024 10.9531 9.09348 4.69373 numMergedOcc 0
31 mol 109 unq 0 iso 1 dist 8.52024 7.15843 9.89083 4.69373 9.09348 10.9531 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 11.0625 6.96745 14.5726 numMergedOcc 0
33 mol 112 unq 0 iso 1 dist 9.40824 4.97527 7.7988 14.5726 6.96745 11.0625 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 7.7988 6.34999 4.22363 11.0625 6.96745 9.05551 numMergedOcc 0
35 mol 112 unq 1 iso 1 dist 4.22363 6.34999 7.7988 9.05551 6.96745 11.0625 numMergedOcc 0
36 mol 112 unq 1 iso 0 dist 9.40824 6.72751 4.22363 14.5726 6.96745 9.05551 numMergedOcc 0
37 mol 112 unq 1 iso 1 dist 4.22363 6.72751 9.40824 9.05551 6.96745 14.5726 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 6.39384 7.69052 9.42082 6.95773 7.65564 6.01673 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 9.42082 7.69052 6.39384 6.01673 7.65564 6.95773 numMergedOcc 0
40 mol 127 unq 0 iso 0 dist 7.79505 6.55997 7.36199 7.58649 9.97028 7.60948 numMergedOcc 0
41 mol 127 unq 0 iso 1 dist 7.36199 6.55997 7.79505 7.60948 9.97028 7.58649 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 8.26547 5.61668 9.05342 6.9945 7.48208 4.19723 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 9.05342 5.61668 8.26547 4.19723 7.48208 6.9945 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 15.3018 8.14226 5.03507 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 5.03507 8.14226 15.3018 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 9.33094 6.81259 8.69531 8.06642 8.62504 4.00092 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 8.69531 6.81259 9.33094 4.00092 8.62504 8.06642 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 9.66543 5.62899 7.21868 4.46337 8.62504 7.41373 numMergedOcc 0
49 mol 134 unq 2 iso 1 dist 7.21868 5.62899 9.66543 7.41373 8.62504 4.46337 numMergedOcc 0
50 mol 134 unq 3 iso 0 dist 9.66543 10.7144 7.93372 4.46337 8.62504 10.8635 numMergedOcc 0
51 mol 134 unq 3 iso 1 dist 7.93372 10.7144 9.66543 10.8635 8.62504 4.46337 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 7.21868 5.49782 7.93372 7.41373 8.62504 10.8635 numMergedOcc 0
53 mol 134 unq 3 iso 1 dist 7.93372 5.49782 7.21868 10.8635 8.62504 7.41373 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 5.35237 6.90348 7.99477 5.4761 5.78982 5.03507 numMergedOcc 0
55 mol 134 unq 2 iso 1 dist 7.99477 6.90348 5.35237 5.03507 5.78982 5.4761 numMergedOcc 0
56 mol 170 unq 0 iso 0 dist 9.08274 8.56034 9.51256 6.86812 8.75024 5.7304 numMergedOcc 0
57 mol 170 unq 0 iso 1 dist 9.51256 8.56034 9.08274 5.7304 8.75024 6.86812 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 9.01624 11.5866 5.05973 5.42158 9.92831 10.0773 numMergedOcc 0
59 mol 181 unq 0 iso 1 dist 5.05973 11.5866 9.01624 10.0773 9.92831 5.42158 numMergedOcc 0
60 mol 186 unq 0 iso 0 dist 8.90571 7.09479 6.61112 5.75483 8.5672 10.8286 numMergedOcc 0
61 mol 186 unq 0 iso 1 dist 6.61112 7.09479 8.90571 10.8286 8.5672 5.75483 numMergedOcc 0
62 mol 197 unq 0 iso 0 dist 9.10817 5.43601 6.86828 9.61454 6.69042 7.59871 numMergedOcc 0
63 mol 197 unq 0 iso 1 dist 6.86828 5.43601 9.10817 7.59871 6.69042 9.61454 numMergedOcc 0
64 mol 205 unq 0 iso 0 dist 7.21137 10.817 8.4844 4.3093 5.03818 8.90569 numMergedOcc 0
65 mol 205 unq 0 iso 1 dist 8.4844 10.817 7.21137 8.90569 5.03818 4.3093 numMergedOcc 0
66 mol 205 unq 1 iso 0 dist 7.21137 10.817 8.4844 7.94891 6.40171 6.37317 numMergedOcc 0
67 mol 205 unq 1 iso 1 dist 8.4844 10.817 7.21137 6.37317 6.40171 7.94891 numMergedOcc 0
68 mol 227 unq 0 iso 0 dist 5.23634 5.22356 6.91318 4.664 8.85955 8.49509 numMergedOcc 0
69 mol 227 unq 0 iso 1 dist 6.91318 5.22356 5.23634 8.49509 8.85955 4.664 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 5.23634 5.22356 6.91318 4.1511 6.09335 4.69247 numMergedOcc 0
71 mol 227 unq 1 iso 1 dist 6.91318 5.22356 5.23634 4.69247 6.09335 4.1511 numMergedOcc 0
72 mol 235 unq 0 iso 0 dist 8.19317 7.218 5.1823 9.72447 6.03081 4.21867 numMergedOcc 0
73 mol 235 unq 0 iso 1 dist 5.1823 7.218 8.19317 4.21867 6.03081 9.72447 numMergedOcc 0
74 mol 235 unq 1 iso 0 dist 8.19317 7.218 5.1823 12.983 7.41433 5.88852 numMergedOcc 0
75 mol 235 unq 1 iso 1 dist 5.1823 7.218 8.19317 5.88852 7.41433 12.983 numMergedOcc 0
76 mol 235 unq 2 iso 0 dist 6.29377 7.218 5.70635 10.3462 8.85214 4.5022 numMergedOcc 0
77 mol 235 unq 2 iso 1 dist 5.70635 7.218 6.29377 4.5022 8.85214 10.3462 numMergedOcc 0
78 mol 235 unq 3 iso 0 dist 6.29377 7.218 5.70635 9.72447 5.1874 4.21867 numMergedOcc 0
79 mol 235 unq 3 iso 1 dist 5.70635 7.218 6.29377 4.21867 5.1874 9.72447 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 9.12776 15.7907 9.72188 5.71717 4.66186 10.4706 numMergedOcc 0
81 mol 238 unq 0 iso 1 dist 9.72188 15.7907 9.12776 10.4706 4.66186 5.71717 numMergedOcc 0
82 mol 251 unq 0 iso 0 dist 9.82601 5.19086 6.50357 13.28 9.02417 11.5298 numMergedOcc 0
83 mol 251 unq 0 iso 1 dist 6.50357 5.19086 9.82601 11.5298 9.02417 13.28 numMergedOcc 0
84 mol 264 unq 0 iso 0 dist 5.90924 7.07277 5.90058 5.71153 9.78237 12.6872 numMergedOcc 0
85 mol 264 unq 0 iso 1 dist 5.90058 7.07277 5.90924 12.6872 9.78237 5.71153 numMergedOcc 0
86 mol 264 unq 1 iso 0 dist 5.90924 7.07277 5.90058 5.70542 9.70101 9.63145 numMergedOcc 0
87 mol 264 unq 1 iso 1 dist 5.90058 7.07277 5.90924 9.63145 9.70101 5.70542 numMergedOcc 0
88 mol 264 unq 2 iso 0 dist 5.90924 7.07277 5.90058 6.87635 9.95798 12.9337 numMergedOcc 0
89 mol 264 unq 2 iso 1 dist 5.90058 7.07277 5.90924 12.9337 9.95798 6.87635 numMergedOcc 0
90 mol 264 unq 3 iso 0 dist 5.90924 8.96144 9.58916 5.71153 9.78237 6.56539 numMergedOcc 0
91 mol 264 unq 3 iso 1 dist 9.58916 8.96144 5.90924 6.56539 9.78237 5.71153 numMergedOcc 0
92 mol 264 unq 4 iso 0 dist 5.90924 8.96144 9.58916 5.70542 9.70101 10.1301 numMergedOcc 0
93 mol 264 unq 4 iso 1 dist 9.58916 8.96144 5.90924 10.1301 9.70101 5.70542 numMergedOcc 0
94 mol 264 unq 5 iso 0 dist 5.90924 8.96144 9.58916 6.87635 9.95798 4.76241 numMergedOcc 0
95 mol 264 unq 5 iso 1 dist 9.58916 8.96144 5.90924 4.76241 9.95798 6.87635 numMergedOcc 0
96 mol 264 unq 3 iso 0 dist 5.90058 14.3597 9.58916 12.6872 9.78237 6.56539 numMergedOcc 0
97 mol 264 unq 3 iso 1 dist 9.58916 14.3597 5.90058 6.56539 9.78237 12.6872 numMergedOcc 0
98 mol 264 unq 4 iso 0 dist 5.90058 14.3597 9.58916 9.63145 9.70101 10.1301 numMergedOcc 0
99 mol 264 unq 4 iso 1 dist 9.58916 14.3597 5.90058 10.1301 9.70101 9.63145 numMergedOcc 0
100 mol 264 unq 5 iso 0 dist 5.90058 14.3597 9.58916 12.9337 9.95798 4.76241 numMergedOcc 0
101 mol 264 unq 5 iso 1 dist 9.58916 14.3597 5.90058 4.76241 9.95798 12.9337 numMergedOcc 0
102 mol 264 unq 6 iso 0 dist 9.19754 4.92077 8.29262 11.4167 9.78237 13.2035 numMergedOcc 0
103 mol 264 unq 6 iso 1 dist 8.29262 4.92077 9.19754 13.2035 9.78237 11.4167 numMergedOcc 0
104 mol 277 unq 0 iso 0 dist 9.57499 7.69449 5.46926 11.2997 7.16209 4.40029 numMergedOcc 0
105 mol 277 unq 0 iso 1 dist 5.46926 7.69449 9.57499 4.40029 7.16209 11.2997 numMergedOcc 0
106 mol 277 unq 1 iso 0 dist 9.57499 11.8268 8.9682 11.2997 7.16209 3.97543 numMergedOcc 0
107 mol 277 unq 1 iso 1 dist 8.9682 11.8268 9.57499 3.97543 7.16209 11.2997 numMergedOcc 0
108 mol 277 unq 1 iso 0 dist 5.46926 7.08227 8.9682 4.40029 7.16209 3.97543 numMergedOcc 0
109 mol 277 unq 1 iso 1 dist 8.9682 7.08227 5.46926 3.97543 7.16209 4.40029 numMergedOcc 0
110 mol 277 unq 2 iso 0 dist 5.13913 7.08227 6.92711 4.40029 4.62936 3.97543 numMergedOcc 0
111 mol 277 unq 2 iso 1 dist 6.92711 7.08227 5.13913 3.97543 4.62936 4.40029 numMergedOcc 0
112 mol 284 unq 0 iso 0 dist 9.19921 5.10183 6.41303 11.7046 9.69019 7.70187 numMergedOcc 0
113 mol 284 unq 0 iso 1 dist 6.41303 5.10183 9.19921 7.70187 9.69019 11.7046 numMergedOcc 0
