0 mol 11 unq 0 iso 0 dist 6.50001 3.77561 6.54358 5.95165 4.10106 4.61088 10.5071 9.32171 7.28643 8.68293 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.50001 3.77561 6.54358 5.95165 4.10106 4.61088 9.80646 9.89425 9.68636 6.84216 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 16.0078 13.1158 17.4771 8.85601 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 8.80287 11.1729 4.73066 7.51733 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 8.80287 11.1729 4.73066 9.01607 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 8.80287 14.5416 4.73066 7.51733 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 8.80287 14.5416 4.73066 9.01607 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 20.6295 17.395 12.7473 7.92856 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 4.48773 11.36 8.29813 7.92856 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 4.48773 11.36 13.2057 7.92856 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 4.48773 11.36 12.7473 7.92856 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 4.48773 8.7081 13.2057 7.92856 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 3.8493 8.7081 13.2057 7.92856 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 24.1564 17.395 12.7473 7.92856 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 18.8609 17.395 12.7473 7.92856 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.12348 14.0364 8.80934 10.783 5.70579 5.86073 3.77247 4.30875 13.0914 9.59585 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 6.12348 14.0364 8.80934 10.783 5.70579 5.86073 13.3539 8.65807 12.5818 9.7073 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 7.2672 12.1308 8.80934 11.0486 5.70579 5.86073 7.80142 4.30875 13.0914 9.59585 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 7.2672 12.1308 8.80934 11.0486 5.70579 5.86073 6.39991 8.65807 12.5818 9.7073 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 13.0497 17.4196 12.7606 5.39356 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 9.11353 16.9845 12.6193 9.92746 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 9.28018 11.1832 4.05822 8.04118 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 9.28018 11.1832 4.05822 8.39035 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 16.5098 12.0033 9.87651 19.9635 15.3259 12.8624 5.36671 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 6.48993 7.91498 7.02548 16.5098 11.6011 9.87651 19.9635 15.6111 12.8624 5.36671 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 13.2218 10.6736 6.16342 13.7613 10.5638 4.32238 4.43499 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 10.6139 12.745 5.96249 9.18798 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 9.58753 10.838 5.97386 8.25897 numMergedOcc 0
