0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 4.10106 9.89425 9.58844 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.1397 8.70343 8.09187 5.67577 9.46349 5.69024 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.91596 7.93694 5.9972 10.7345 8.78511 5.19476 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 8.41542 7.87445 7.23219 4.59725 5.70939 6.96098 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.34191 4.55117 8.88313 6.18181 9.86895 6.28602 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.34191 5.64209 7.07522 6.18181 9.86895 4.09434 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.23438 5.92889 8.98478 13.5805 9.10675 9.74222 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 7.17488 7.05413 8.98478 10.0669 9.10675 9.74222 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 6.79356 6.61756 8.98478 4.00553 9.10675 9.74222 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.61521 6.06861 8.90522 4.09069 9.57759 5.19248 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.25027 7.50972 7.90338 5.80367 7.92114 6.25647 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 5.25027 7.50972 7.90338 10.1442 8.18375 5.72646 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.69926 10.7963 5.61151 6.92455 4.29937 7.2898 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.69926 10.7963 5.61151 7.01366 3.65628 4.13305 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.69926 10.7963 5.61151 14.8822 9.77774 6.42723 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 5.85237 10.7963 6.54289 6.92455 5.37869 7.2898 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 5.85237 10.7963 6.54289 7.01366 4.05415 4.13305 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 5.85237 10.7963 6.54289 14.8822 9.97944 6.42723 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 5.85237 4.83769 7.52869 6.92455 5.37869 8.37735 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 5.85237 4.83769 7.52869 7.01366 4.05415 6.66973 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 5.85237 4.83769 7.52869 14.8822 9.97944 13.5088 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 5.85237 6.24888 9.18945 6.92455 5.37869 6.17924 numMergedOcc 0
22 mol 85 unq 10 iso 0 dist 5.85237 6.24888 9.18945 7.01366 4.05415 7.15173 numMergedOcc 0
23 mol 85 unq 11 iso 0 dist 5.85237 6.24888 9.18945 14.8822 9.97944 16.574 numMergedOcc 0
24 mol 85 unq 12 iso 0 dist 9.11768 7.79293 6.54289 8.32224 5.37869 7.2898 numMergedOcc 0
25 mol 85 unq 13 iso 0 dist 9.11768 7.79293 6.54289 6.15019 4.05415 4.13305 numMergedOcc 0
26 mol 85 unq 14 iso 0 dist 9.11768 7.79293 6.54289 12.6518 9.97944 6.42723 numMergedOcc 0
27 mol 85 unq 15 iso 0 dist 9.11768 4.53268 7.52869 8.32224 5.37869 8.37735 numMergedOcc 0
28 mol 85 unq 16 iso 0 dist 9.11768 4.53268 7.52869 6.15019 4.05415 6.66973 numMergedOcc 0
29 mol 85 unq 17 iso 0 dist 9.11768 4.53268 7.52869 12.6518 9.97944 13.5088 numMergedOcc 0
30 mol 85 unq 18 iso 0 dist 9.11768 6.09332 9.18945 8.32224 5.37869 6.17924 numMergedOcc 0
31 mol 85 unq 19 iso 0 dist 9.11768 6.09332 9.18945 6.15019 4.05415 7.15173 numMergedOcc 0
32 mol 85 unq 20 iso 0 dist 9.11768 6.09332 9.18945 12.6518 9.97944 16.574 numMergedOcc 0
33 mol 123 unq 0 iso 0 dist 8.111 12.8359 8.53618 4.1335 4.14492 9.7027 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 8.04118 9.49653 5.69323 4.67662 5.42679 5.26247 numMergedOcc 0
35 mol 142 unq 1 iso 0 dist 8.39035 7.53854 5.69323 5.81599 5.42679 5.26247 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 6.79114 7.86749 9.70169 4.94983 8.60651 12.5388 numMergedOcc 0
37 mol 228 unq 0 iso 0 dist 9.25785 4.81881 8.29523 9.3302 8.92379 6.68878 numMergedOcc 0
38 mol 228 unq 1 iso 0 dist 9.01231 4.75417 8.13557 9.39743 9.06403 6.64821 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 8.45764 10.7711 9.55854 11.5298 7.72528 10.449 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 9.96374 12.1551 3.93401 17.5073 9.21469 6.87619 numMergedOcc 0
