0 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 13.9246 7.7393 9.49373 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 6.39496 8.40971 8.80801 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 10.8544 12.8189 7.03264 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 10.8964 12.8189 7.03264 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.10245 5.63748 7.43534 7.41574 12.9257 8.29967 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 3.66319 11.3977 8.5776 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 9.81852 17.2223 9.62885 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 7.72261 9.09263 6.00667 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.07294 5.79195 5.35551 4.27464 12.5872 8.00919 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.12189 9.2759 10.8516 15.0617 16.6703 6.00667 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 5.12189 9.2759 10.8516 14.8239 15.5618 8.00919 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 7.50126 9.2759 5.35551 15.0617 9.09263 6.00667 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 7.50126 9.2759 5.35551 14.8239 12.5872 8.00919 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 10.6134 11.9143 7.76297 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 10.6134 14.316 7.76297 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 5.30674 12.1415 9.8553 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 5.16179 10.2184 9.58089 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 7.69421 8.29364 6.39127 6.26917 9.59741 6.0033 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 7.69421 8.29364 6.39127 9.55477 13.4036 9.51612 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 7.69421 8.97652 9.01399 6.26917 9.59741 9.01322 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 7.69421 8.97652 9.01399 9.55477 13.4036 5.89091 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 6.555 9.58724 7.81237 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 14.0074 20.1009 9.33769 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 12.2375 18.6942 6.25503 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 6.555 12.5675 7.81237 numMergedOcc 0
25 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 14.0074 16.8177 9.33769 numMergedOcc 0
26 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 12.2375 14.7034 6.25503 numMergedOcc 0
27 mol 220 unq 6 iso 0 dist 7.57716 6.50756 8.34243 6.25318 11.5577 9.21798 numMergedOcc 0
28 mol 220 unq 7 iso 0 dist 8.98362 6.50756 5.82963 6.25318 11.5204 9.21798 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 6.54029 10.121 8.45305 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 6.00654 8.86185 8.20191 13.9599 14.1024 8.39251 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 6.00654 8.86185 8.20191 6.54029 10.121 8.99865 numMergedOcc 0
32 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 6.33602 10.9137 9.59814 numMergedOcc 0
33 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 6.33602 10.9137 8.92083 numMergedOcc 0
34 mol 255 unq 0 iso 0 dist 9.72048 7.57779 9.92518 13.4258 19.1532 9.35269 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.97411 8.58092 13.2474 5.52381 14.3981 9.12231 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 6.13416 9.50269 8.69675 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 9.50814 7.52632 3.89234 5.57706 10.7949 9.74602 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 15.7187 14.7972 8.67354 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 9.63694 6.57444 13.1376 9.54337 11.7883 7.96955 numMergedOcc 0
40 mol 266 unq 2 iso 0 dist 9.63694 7.9555 14.6225 14.5953 22.9049 8.67354 numMergedOcc 0
41 mol 266 unq 3 iso 0 dist 6.58277 6.57444 5.91091 9.54337 13.0223 7.96955 numMergedOcc 0
42 mol 266 unq 4 iso 0 dist 6.58277 7.9555 3.93133 14.5953 8.14167 8.67354 numMergedOcc 0
43 mol 266 unq 5 iso 0 dist 8.42706 8.8646 3.93133 15.7187 8.14167 8.67354 numMergedOcc 0
44 mol 266 unq 6 iso 0 dist 8.12204 9.39714 5.91091 15.1918 13.0223 7.96955 numMergedOcc 0
45 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.44911 9.8362 8.79823 numMergedOcc 0
46 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 9.11051 9.8362 8.79823 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 4.38561 11.4025 8.05825 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 4.38561 11.4025 8.05825 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 4.38561 11.4025 8.05825 numMergedOcc 0
50 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 9.12667 16.5015 8.98365 numMergedOcc 0
51 mol 293 unq 1 iso 0 dist 8.42712 6.42608 8.14268 10.2071 16.5015 8.98365 numMergedOcc 0
