0 mol 7 unq 0 iso 0 dist 8.40995 7.32392 4.77411 10.5949 11.1667 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.40995 7.32392 4.77411 5.59295 10.294 6.44736 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.05125 7.15434 9.17482 10.7937 7.11539 8.72114 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.97177 13.2968 8.53529 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 5.41248 6.57999 10.1093 7.97177 13.2968 7.18019 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.45665 6.4754 4.62402 5.3298 10.4279 7.18019 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 7.45665 7.3795 5.66268 5.3298 10.4279 8.44009 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 5.11248 9.78197 6.72833 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 6.59376 7.53042 7.12759 5.9029 10.9154 7.12365 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 8.18794 7.53042 4.43881 5.9029 9.81761 7.12365 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.88143 5.85841 4.04716 4.81103 7.67564 5.78706 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.88143 7.00285 13.0429 4.81103 7.67564 5.59328 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.62952 5.85841 4.75433 4.81103 8.60103 5.78706 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 6.62952 7.00285 11.5098 4.81103 8.60103 5.59328 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 4.3521 6.78839 4.75433 7.22196 8.60103 5.78706 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 4.3521 8.02354 11.5098 7.22196 8.60103 5.59328 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 5.26536 8.05602 12.5137 11.0132 14.8099 6.65501 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 10.838 18.6088 8.30845 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 11.4018 14.6252 8.76378 numMergedOcc 0
19 mol 124 unq 0 iso 0 dist 8.03603 6.35314 5.1738 7.64039 9.94532 6.96281 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 8.75402 7.76202 5.87414 7.74181 6.75122 7.47069 numMergedOcc 0
21 mol 125 unq 1 iso 0 dist 8.48363 6.03557 6.10523 6.46489 8.35871 7.73435 numMergedOcc 0
22 mol 125 unq 2 iso 0 dist 8.48363 6.03557 6.10523 8.27647 6.75122 9.3778 numMergedOcc 0
23 mol 126 unq 0 iso 0 dist 9.63161 6.24392 4.7848 5.23583 10.8159 6.30546 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 6.47522 9.51709 6.28565 numMergedOcc 0
25 mol 129 unq 1 iso 0 dist 7.26325 6.23966 5.12351 5.85167 11.1555 7.58957 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 5.52764 13.7055 7.92304 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 9.08686 8.59098 8.98359 4.29509 12.2198 8.647 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 8.42643 7.13441 5.60928 8.99392 10.3893 8.24693 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 8.42643 7.13441 5.60928 5.68701 7.61144 6.71356 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 9.56869 6.04817 4.69892 10.981 8.39178 8.87569 numMergedOcc 0
31 mol 174 unq 1 iso 0 dist 9.56869 6.04817 4.69892 13.6211 7.54918 9.87122 numMergedOcc 0
32 mol 174 unq 2 iso 0 dist 7.37131 6.04817 4.99043 10.981 12.2017 8.87569 numMergedOcc 0
33 mol 174 unq 3 iso 0 dist 7.37131 6.04817 4.99043 13.6211 12.5389 9.87122 numMergedOcc 0
34 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 5.78532 10.3753 6.85935 numMergedOcc 0
35 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 5.78532 8.64079 6.85935 numMergedOcc 0
36 mol 209 unq 2 iso 0 dist 8.68691 9.12289 7.34962 4.84945 10.3753 6.85935 numMergedOcc 0
37 mol 209 unq 3 iso 0 dist 7.37014 9.12289 7.61997 4.84945 8.64079 6.85935 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 10.4939 16.6561 8.66332 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 7.46856 11.097 8.50102 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 7.46856 13.5987 8.50102 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 5.11183 9.49129 7.57812 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.77828 5.67917 5.65008 6.32646 6.80544 8.69104 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 9.01742 9.38753 5.81768 6.77421 10.5256 7.10685 numMergedOcc 0
