0 mol 7 unq 0 iso 0 dist 8.40995 7.32392 4.77411 15.5277 12.4562 9.60499 10.5949 11.1667 6.7985 6.55304 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.40995 7.32392 4.77411 15.5277 12.4562 9.60499 5.59295 10.294 6.44736 12.2869 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.05125 7.15434 9.17482 11.2706 15.9303 7.10621 10.7937 7.11539 8.72114 13.8829 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.35767 12.5407 8.96553 7.97177 13.2968 8.53529 4.36226 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 5.41248 6.57999 10.1093 7.35767 12.5407 9.62879 7.97177 13.2968 7.18019 4.36226 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.45665 6.4754 4.62402 7.06064 13.0573 9.62879 5.3298 10.4279 7.18019 4.36226 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 5.70228 10.3488 4.7319 5.11248 9.78197 6.72833 6.51133 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 12.0507 15.9063 5.08437 11.0132 14.8099 6.65501 4.4057 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.26536 8.05602 12.5137 4.72129 9.4286 6.48948 11.0132 14.8099 6.65501 7.42446 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.26536 8.05602 12.5137 12.0339 17.163 6.10456 11.0132 14.8099 6.65501 9.67482 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 10.838 18.6088 8.30845 12.2861 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 11.4018 14.6252 8.76378 15.5385 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 10.838 18.6088 8.30845 5.80144 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 11.4018 14.6252 8.76378 12.3577 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 10.838 18.6088 8.30845 10.0456 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 11.4018 14.6252 8.76378 4.97045 numMergedOcc 0
16 mol 100 unq 6 iso 0 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 10.838 18.6088 8.30845 6.70236 numMergedOcc 0
17 mol 100 unq 7 iso 0 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 11.4018 14.6252 8.76378 10.7791 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 8.48363 6.03557 6.10523 5.14495 12.6769 8.62381 6.46489 8.35871 7.73435 7.43922 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 8.48363 6.03557 6.10523 5.14495 12.6769 8.62381 8.27647 6.75122 9.3778 11.0769 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 9.63161 6.24392 4.7848 5.50061 10.2273 6.06638 5.23583 10.8159 6.30546 6.0268 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 5.16275 12.0652 9.61051 6.47522 9.51709 6.28565 6.30169 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 7.26325 6.23966 5.12351 5.16275 12.0652 9.61051 5.85167 11.1555 7.58957 5.68211 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 6.47522 9.51709 6.28565 4.55551 numMergedOcc 0
24 mol 129 unq 3 iso 0 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 5.85167 11.1555 7.58957 10.5488 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 7.92939 14.5301 6.43582 5.52764 13.7055 7.92304 5.50031 numMergedOcc 0
26 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 9.80484 14.282 7.56373 5.78532 10.3753 6.85935 6.552 numMergedOcc 0
27 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 9.80484 13.2724 7.56373 5.78532 8.64079 6.85935 6.552 numMergedOcc 0
28 mol 209 unq 2 iso 0 dist 8.68691 9.12289 7.34962 11.2544 14.282 7.56373 4.84945 10.3753 6.85935 6.552 numMergedOcc 0
29 mol 209 unq 3 iso 0 dist 7.37014 9.12289 7.61997 11.2544 13.2724 7.56373 4.84945 8.64079 6.85935 6.552 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 5.65373 11.2048 8.22528 10.4939 16.6561 8.66332 6.65022 numMergedOcc 0
