0 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 11.3479 9.87867 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.77753 5.38671 7.03948 8.63347 4.68733 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 5.77753 5.45161 5.47769 8.63347 4.68733 8.43054 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 12.1062 4.28381 5.93898 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.34024 14.1006 8.68559 12.3818 5.57199 7.26268 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 8.28439 7.14422 7.33969 8.66992 6.58458 8.70192 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.94727 5.2876 6.99408 8.81519 4.51883 5.94756 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.18584 9.26483 8.09058 11.6399 8.47849 9.17838 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 10.1662 6.15714 9.73086 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.4154 5.2774 4.65521 9.71578 6.10063 8.68662 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.4154 5.2774 4.65521 10.1662 6.15714 7.4369 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 9.54683 4.98527 7.79359 11.3614 9.49725 7.90423 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 7.19209 7.70573 9.10189 12.2863 8.40245 7.51139 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.03277 5.96312 7.66168 11.2859 4.02212 9.98797 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 11.9489 5.58312 9.00918 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.33489 15.8885 8.94837 16.2196 9.61537 7.99477 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 5.64806 11.0287 9.14392 16.798 12.0485 8.97626 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 12.5359 9.68365 8.97589 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 5.59438 9.56234 9.52936 13.5706 11.6883 5.96423 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 9.30817 12.8875 8.36117 18.1382 9.33403 9.03441 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.4508 4.91322 6.65984 11.6785 10.9705 8.79428 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.11377 5.70988 9.62609 10.7273 11.5454 6.91318 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.34104 14.9329 8.17891 11.1592 4.09934 5.23634 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 8.34104 13.2783 6.95902 11.1592 4.09934 6.91318 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 8.60471 15.2767 6.98084 8.31344 4.47008 8.19317 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 8.60471 15.2767 6.98084 13.1315 7.34601 6.29377 numMergedOcc 0
26 mol 235 unq 2 iso 0 dist 8.60471 11.9322 7.32211 8.31344 4.47008 5.1823 numMergedOcc 0
27 mol 235 unq 3 iso 0 dist 8.60471 11.9322 7.32211 13.1315 7.34601 5.70635 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 9.91556 15.9601 8.80086 13.811 6.0473 6.59244 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 9.46934 5.86413 7.14834 5.81865 10.0311 8.83833 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.70124 11.9055 6.77938 14.2293 8.90322 8.03219 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.70124 11.9055 6.77938 14.3255 9.2872 6.9899 numMergedOcc 0
