0 mol 10 unq 0 iso 0 dist 8.99402 6.05338 5.30796 8.16906 5.05883 4.27432 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.65131 5.88852 9.78721 7.72372 6.66403 4.60034 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.73572 5.88852 5.65976 7.72372 8.97662 4.60034 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.28673 7.64235 8.21014 7.7727 4.85755 9.02592 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.28673 6.00623 6.53598 7.7727 4.85755 5.05474 numMergedOcc 0
5 mol 41 unq 2 iso 0 dist 8.28673 6.59367 10.9877 7.7727 4.85755 7.42205 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.04551 6.78264 5.90067 7.49794 13.0811 12.428 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.04551 8.45484 13.4777 7.49794 13.0811 4.12075 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.38928 9.38206 4.17606 7.99434 9.85208 8.2052 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 8.36915 8.80334 10.7888 5.43913 5.44336 5.67204 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 8.36915 8.80334 10.7888 8.26877 10.4965 4.28224 numMergedOcc 0
11 mol 48 unq 5 iso 0 dist 6.01454 8.80334 13.7656 5.43913 9.12054 5.67204 numMergedOcc 0
12 mol 48 unq 6 iso 0 dist 6.01454 8.80334 13.7656 8.26877 13.688 4.28224 numMergedOcc 0
13 mol 48 unq 7 iso 0 dist 6.31161 6.78264 9.79694 7.49794 5.91316 12.428 numMergedOcc 0
14 mol 48 unq 8 iso 0 dist 6.31161 8.45484 6.73491 7.49794 5.91316 4.12075 numMergedOcc 0
15 mol 54 unq 0 iso 0 dist 6.79881 5.53875 4.94373 7.21223 7.71448 6.80028 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 6.98862 8.84839 9.76857 8.08224 5.03002 13.0214 numMergedOcc 0
17 mol 140 unq 0 iso 0 dist 9.92335 5.17739 8.43002 7.82005 4.00168 6.69665 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.64085 8.22353 5.45952 9.99012 5.64264 4.19541 numMergedOcc 0
19 mol 165 unq 0 iso 0 dist 9.59989 8.4082 5.48376 9.98689 9.80262 13.398 numMergedOcc 0
20 mol 165 unq 1 iso 0 dist 9.59989 8.4082 5.48376 5.93144 11.7431 7.59874 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.82329 9.72291 6.28495 8.43955 9.16459 5.3461 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.6609 7.77669 11.3105 8.06007 12.9272 3.63393 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 6.21546 7.77669 5.2437 8.06007 7.97895 3.63393 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 6.03184 7.77669 7.87691 8.06007 9.57126 3.63393 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 5.69763 6.8093 5.06149 7.96463 7.55666 10.347 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 4.67452 9.38761 9.78352 8.58891 5.15128 9.62023 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 6.00654 4.57548 5.28695 7.24545 6.94281 9.32521 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.97411 6.73928 5.28906 5.94328 8.9947 6.93346 numMergedOcc 0
