0 mol 41 unq 0 iso 0 dist 7.89705 8.45859 10.6149 6.02913 7.56029 10.3608 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 9.97973 8.55076 6.84697 12.0777 7.40639 11.279 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.16658 6.89855 8.45456 5.74753 7.4515 8.78414 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 8.94047 6.89855 3.4677 5.74753 9.76551 8.78414 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.4866 9.57347 10.3993 7.39752 6.3567 11.5669 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 4.66377 8.08224 7.70687 8.26803 9.86664 15.847 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.07578 6.65972 5.47798 5.21981 8.04168 4.78333 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 6.07578 6.65972 5.47798 8.12985 5.70907 9.18411 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 6.07578 4.2253 7.86805 5.21981 8.04168 4.74254 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 6.07578 4.2253 7.86805 8.12985 5.70907 11.446 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 6.93136 9.99012 5.42311 9.88555 7.16698 11.0026 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 6.93136 9.99012 5.42311 12.1494 8.68663 6.60366 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.19078 7.78842 6.69469 9.3543 6.92726 12.0843 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 8.27428 8.79752 14.914 17.7411 9.79338 23.5599 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 8.27428 7.29985 7.84639 17.7411 9.79338 15.9016 numMergedOcc 0
15 mol 176 unq 2 iso 0 dist 8.27428 7.58281 11.4731 17.7411 9.79338 20.2391 numMergedOcc 0
16 mol 176 unq 3 iso 0 dist 8.27428 8.8756 12.0573 17.7411 9.79338 20.9566 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.67811 5.97886 9.75152 9.71205 8.17226 15.5133 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.63008 7.56217 7.82899 5.39223 5.53324 4.45769 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.63008 7.56217 7.82899 11.8568 6.72182 12.9621 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.63008 9.81055 10.0237 5.39223 5.53324 5.89939 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 8.63008 9.81055 10.0237 11.8568 6.72182 13.7206 numMergedOcc 0
22 mol 207 unq 0 iso 0 dist 7.21449 8.29754 5.67749 11.9587 8.78061 14.3735 numMergedOcc 0
23 mol 207 unq 1 iso 0 dist 7.21449 8.85994 5.79865 11.9587 8.78061 12.2955 numMergedOcc 0
24 mol 207 unq 2 iso 0 dist 9.22778 5.77532 5.67749 16.8541 8.78061 14.3735 numMergedOcc 0
25 mol 207 unq 3 iso 0 dist 9.22778 8.75785 5.79865 16.8541 8.78061 12.2955 numMergedOcc 0
26 mol 251 unq 0 iso 0 dist 5.0953 8.15014 10.3735 5.04918 6.42747 7.72528 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 8.54084 6.90472 4.05076 4.35925 9.65775 9.73217 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 8.54084 6.90472 4.05076 13.8859 9.50634 7.49606 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 7.5355 9.98182 11.5492 4.91802 5.81528 11.6824 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 5.68818 8.2236 9.00846 14.1802 9.07503 15.2499 numMergedOcc 0
31 mol 284 unq 1 iso 0 dist 5.68818 8.2236 9.00846 11.9492 7.63256 11.1965 numMergedOcc 0
