0 mol 58 unq 0 iso 0 dist 8.52969 6.10173 7.21955 5.99959 6.75888 8.71468 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 5.89394 10.9738 6.95572 14.2149 9.32974 6.72712 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 5.89394 10.9738 6.95572 10.2494 6.99832 5.39745 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.87387 10.6075 6.84011 10.1667 5.31367 8.809 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 5.87387 10.6075 6.84011 12.5269 8.88748 5.79343 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 8.72463 16.1752 7.78652 17.6894 10.0989 6.97487 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 8.72463 16.1752 7.78652 12.3708 6.01455 6.46089 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 9.7168 6.57631 9.99156 4.7785 6.84291 8.73468 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 9.7168 8.40891 8.18085 4.7785 6.84291 9.73927 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 9.61132 6.56068 9.8656 4.79493 6.79619 8.73558 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 9.61132 8.32178 7.94889 4.79493 6.79619 9.66129 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 8.14907 7.76857 6.53347 15.6173 9.36596 9.0529 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.14907 7.76857 6.53347 12.1798 5.40375 7.55196 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.80643 11.7605 9.44367 9.89595 7.29758 5.81122 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 7.78695 9.00075 9.17787 11.4027 6.49376 6.72852 numMergedOcc 0
15 mol 159 unq 1 iso 0 dist 7.78695 11.6088 8.4858 10.7746 4.57561 5.9032 numMergedOcc 0
16 mol 159 unq 2 iso 0 dist 7.78695 11.6088 8.4858 11.4027 6.49376 8.52082 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 6.64164 10.2539 9.67741 11.137 6.36909 7.80054 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.60477 5.44019 7.44629 11.8297 8.67522 7.60254 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.07676 6.10683 6.59025 10.8413 7.07409 6.32777 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 6.96824 4.75774 5.9176 10.5414 9.60512 5.97685 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 6.96824 4.75774 5.9176 13.0459 13.3389 8.9289 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.25528 15.4597 8.90963 11.1948 8.25067 5.95304 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.05666 5.76622 8.77999 8.15486 5.71262 7.33225 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.69537 9.80934 9.51597 13.2539 7.67202 8.08737 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.2527 10.0472 7.57812 5.3853 5.11565 8.90076 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 7.2527 10.0472 7.57812 11.5738 13.0842 6.87131 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 7.2527 10.0472 7.57812 11.2976 13.171 8.09718 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 7.2527 10.0651 8.69104 5.3853 5.11565 6.62002 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 7.2527 10.0651 8.69104 11.5738 13.0842 9.69818 numMergedOcc 0
30 mol 238 unq 5 iso 0 dist 7.2527 10.0651 8.69104 11.2976 13.171 6.73446 numMergedOcc 0
31 mol 238 unq 6 iso 0 dist 7.13194 10.0472 9.24557 5.3853 11.0401 8.90076 numMergedOcc 0
32 mol 238 unq 7 iso 0 dist 7.13194 10.0472 9.24557 11.5738 8.85181 6.87131 numMergedOcc 0
33 mol 238 unq 8 iso 0 dist 7.13194 10.0472 9.24557 11.2976 11.9142 8.09718 numMergedOcc 0
34 mol 238 unq 9 iso 0 dist 9.29203 13.6806 7.57812 11.3406 5.11565 8.90076 numMergedOcc 0
35 mol 238 unq 10 iso 0 dist 9.29203 13.6806 7.57812 16.0336 13.0842 6.87131 numMergedOcc 0
36 mol 238 unq 11 iso 0 dist 9.29203 13.6806 7.57812 17.8302 13.171 8.09718 numMergedOcc 0
37 mol 238 unq 12 iso 0 dist 9.29203 16.2617 8.69104 11.3406 5.11565 6.62002 numMergedOcc 0
38 mol 238 unq 13 iso 0 dist 9.29203 16.2617 8.69104 16.0336 13.0842 9.69818 numMergedOcc 0
39 mol 238 unq 14 iso 0 dist 9.29203 16.2617 8.69104 17.8302 13.171 6.73446 numMergedOcc 0
40 mol 238 unq 15 iso 0 dist 7.80166 13.6806 9.24557 11.3406 11.0401 8.90076 numMergedOcc 0
41 mol 238 unq 16 iso 0 dist 7.80166 13.6806 9.24557 16.0336 8.85181 6.87131 numMergedOcc 0
42 mol 238 unq 17 iso 0 dist 7.80166 13.6806 9.24557 17.8302 11.9142 8.09718 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 6.49599 10.451 7.98231 15.0738 11.6195 8.71497 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 9.47382 10.451 7.08526 15.0738 5.79468 8.71497 numMergedOcc 0
45 mol 265 unq 0 iso 0 dist 5.81421 9.59458 6.71375 10.103 4.65134 5.40318 numMergedOcc 0
