0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 5.26458 5.99972 12.0193 15.6999 7.15287 6.22892 12.916 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 10.4181 5.96346 6.86684 10.6872 7.86896 9.23212 12.8782 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 5.1333 6.72833 6.51133 8.62634 6.05535 9.04834 5.36911 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.92687 8.4051 5.11617 12.5796 5.76725 6.35095 9.89331 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 13.278 8.23446 13.1779 12.5796 5.76725 6.35095 10.5391 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.40392 8.23069 5.54419 5.12527 8.75662 10.8238 12.5796 5.76725 6.35095 14.084 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.40392 8.59466 7.36323 8.92687 8.4051 13.2229 10.2518 5.75653 5.87895 14.0475 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.40392 8.59466 7.36323 13.278 8.23446 6.38336 10.2518 5.75653 5.87895 7.06532 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 7.40392 8.59466 7.36323 5.12527 8.75662 6.7828 10.2518 5.75653 5.87895 11.0714 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 8.71324 9.73304 9.10915 12.219 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 13.1382 10.8918 8.66921 14.1509 numMergedOcc 0
11 mol 64 unq 2 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 9.5663 5.59762 5.54343 9.23947 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 16.1256 11.8978 9.40559 19.4788 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 8.84017 6.84011 7.436 6.15949 5.24877 9.24515 11.4347 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 13.4067 6.92026 6.77806 9.60865 5.3967 8.35604 11.0607 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 9.50575 6.68557 5.11551 13.4067 6.92026 6.77806 5.91786 7.10772 7.83568 13.3321 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 8.43116 4.96719 5.11551 5.19545 6.92026 6.77806 12.6771 5.3967 8.35604 11.0607 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 8.43116 4.96719 5.11551 5.19545 6.92026 6.77806 12.4366 7.10772 7.83568 13.3321 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 6.23645 4.96719 7.11972 5.19545 5.88249 6.77806 12.6771 11.9798 8.35604 11.0607 numMergedOcc 0
19 mol 115 unq 5 iso 0 dist 6.23645 4.96719 7.11972 5.19545 5.88249 6.77806 12.4366 11.3906 7.83568 13.3321 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 17.7351 12.4156 5.67862 10.8422 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 5.06328 7.10826 5.87279 17.8352 13.3929 8.07523 12.8837 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.58471 10.3518 6.18308 5.06328 7.10826 5.87279 15.2952 12.3088 7.56882 10.5315 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 15.4125 8.84636 4.30299 10.7456 12.1502 9.27989 12.9792 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 4.45211 7.89524 4.45049 11.0484 7.93809 6.40592 10.2312 numMergedOcc 0
25 mol 241 unq 1 iso 0 dist 6.90245 5.3674 7.4631 5.69979 7.89524 4.45049 7.16232 7.93809 6.40592 10.2312 numMergedOcc 0
