0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 4.21886 8.65828 9.80897 15.0931 10.9309 8.34347 12.8257 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 5.70643 4.50643 7.78892 10.8741 12.4634 9.24927 13.4993 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 14.1632 6.29755 9.89662 10.7219 14.4402 9.5589 17.0633 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 14.1632 6.29755 9.89662 6.76462 10.5929 6.83299 14.1109 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 14.1632 6.29755 9.89662 13.2619 6.54183 8.10861 5.58127 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 8.34361 5.97635 5.65405 15.4599 7.4038 11.7963 10.7219 14.4402 9.5589 20.6345 numMergedOcc 0
6 mol 54 unq 4 iso 0 dist 8.34361 5.97635 5.65405 15.4599 7.4038 11.7963 6.76462 10.5929 6.83299 17.5177 numMergedOcc 0
7 mol 54 unq 5 iso 0 dist 8.34361 5.97635 5.65405 15.4599 7.4038 11.7963 13.2619 6.54183 8.10861 5.54544 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.69203 5.45684 8.75668 4.96726 11.8671 9.67592 7.26966 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 7.49861 8.99491 11.6779 5.59746 7.66372 12.8796 4.96726 11.8671 9.67592 7.11862 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 6.2165 8.99491 10.1207 4.69203 7.76644 8.75668 4.96726 10.9973 9.67592 7.26966 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 6.2165 8.99491 10.1207 5.59746 9.99743 12.8796 4.96726 10.9973 9.67592 7.11862 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 17.3577 9.20236 20.7325 6.88489 12.9146 5.08437 21.2953 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 17.3577 9.20236 20.7325 9.63267 17.6559 6.48948 26.6914 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.18252 4.50572 11.8887 17.3577 9.20236 20.7325 9.82583 14.9393 6.10456 22.4826 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 4.64507 9.47253 9.54842 6.59772 8.97043 6.11741 10.1455 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 4.64507 9.47253 9.54842 10.9437 12.9647 7.88312 14.6132 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 8.37388 7.95871 5.19652 6.90898 9.47253 9.54842 4.86477 8.97043 6.11741 10.1455 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 8.37388 7.95871 5.19652 6.90898 9.47253 9.54842 12.0354 12.9647 7.88312 14.6132 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 11.9181 9.42877 13.4233 8.65216 12.1289 8.22528 8.43758 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 9.33775 8.6537 10.8091 11.9181 9.42877 13.4233 10.7439 15.5492 7.03423 13.7816 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 9.33775 5.57702 10.9466 11.9181 9.42877 15.9876 6.21233 14.9098 9.87838 13.9515 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 4.11428 7.30003 10.471 7.38431 15.1022 5.4638 10.4971 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.83646 9.94315 10.1036 5.64173 7.75366 4.80834 12.521 13.6759 5.72887 7.04671 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 8.94039 8.00841 14.8408 6.72492 10.4415 7.4631 10.8667 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 5.66907 8.73425 9.04358 6.48867 10.7821 6.60405 8.81588 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.41167 5.73834 5.13233 5.66907 8.73425 9.04358 7.52881 8.21585 6.42289 5.90131 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 6.41167 5.73834 5.13233 9.6053 9.65711 10.0455 6.48867 10.7821 6.60405 11.1234 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 6.41167 5.73834 5.13233 9.6053 9.65711 10.0455 7.52881 8.21585 6.42289 4.51422 numMergedOcc 0
