0 mol 11 unq 0 iso 0 dist 7.85585 10.5497 6.84216 13.2242 9.68636 4.61088 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.78614 5.29315 7.49157 10.6843 8.66248 6.86014 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.61973 5.29315 7.73794 10.6843 6.73521 6.86014 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.88257 11.0287 6.65615 12.0403 4.47193 9.36773 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 8.88257 5.77089 5.07548 12.0403 4.47193 8.31336 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.80156 5.21064 6.87434 5.43031 4.69658 7.71338 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.72242 10.3652 7.02367 12.6638 5.37655 5.86073 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 7.68837 10.5583 5.39356 17.4765 10.2024 8.14887 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 7.68837 10.5583 5.39356 17.9635 12.7606 9.30299 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 9.38079 7.87833 5.92733 9.09856 6.00473 9.28393 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.9487 6.24204 8.80895 10.3516 11.6692 6.85062 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.53873 8.11604 8.04118 6.90378 4.05822 9.2313 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.53873 8.11604 8.04118 7.01955 4.7832 5.31024 numMergedOcc 0
13 mol 142 unq 2 iso 0 dist 9.53873 5.39629 8.39035 6.90378 4.05822 7.73169 numMergedOcc 0
14 mol 142 unq 3 iso 0 dist 9.53873 5.39629 8.39035 7.01955 4.7832 7.26382 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.97961 4.99603 9.13646 8.58834 13.8168 8.49164 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 5.51907 4.99603 8.34216 8.58834 11.1511 8.49164 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.90428 5.42209 6.85824 7.08106 4.29623 6.18308 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.55981 6.69189 5.1609 10.1562 6.91863 8.01589 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.55981 6.69189 5.1609 14.3721 8.26703 7.7699 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 8.55981 6.69189 5.1609 13.2963 8.89157 7.21333 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.15394 12.0322 9.19385 11.151 5.85692 7.32223 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 8.15394 12.0322 9.19385 13.4557 6.0222 8.31064 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 8.15394 13.1011 9.1927 13.4557 6.0222 6.73034 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 6.78119 5.97792 4.80903 9.99551 5.08421 8.29103 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 5.98618 8.07916 5.7944 7.27446 7.71667 8.4218 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 5.99705 10.4422 5.69112 10.8608 7.75371 9.7748 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 5.04543 10.4422 7.2091 10.8608 11.3546 9.7748 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 8.99501 15.3907 7.2091 17.9233 11.3546 9.7748 numMergedOcc 0
