0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 6.88805 5.99459 8.81608 6.12483 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 13.156 9.67164 8.81608 5.5683 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 7.47371 7.12321 9.14817 14.005 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 9.67587 9.35457 9.76686 17.0868 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 7.07356 12.1131 9.437 17.5421 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 6.9194 12.31 6.55202 12.8661 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 9.68677 7.64052 9.08536 5.37917 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 6.9194 12.31 6.55202 13.3563 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 9.68677 7.64052 9.08536 15.7711 numMergedOcc 0
9 mol 119 unq 4 iso 0 dist 9.87172 6.19042 6.35763 10.9441 9.11344 11.1099 6.20019 6.99446 6.13374 5.37917 numMergedOcc 0
10 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 12.4621 11.2897 6.55202 12.8661 numMergedOcc 0
11 mol 119 unq 6 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 6.20019 6.99446 9.08536 5.37917 numMergedOcc 0
12 mol 119 unq 7 iso 0 dist 6.18601 8.43904 10.3457 10.4376 8.00003 16.109 4.39676 8.95212 6.13374 12.3661 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 5.42561 8.96947 8.7789 3.9234 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 10.7549 11.4624 9.93613 5.50104 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 14.8533 13.5288 9.10003 19.5108 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 14.8533 13.5288 9.10003 10.0161 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 14.8533 13.5288 9.10003 11.7838 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 7.77758 5.94469 7.05653 6.8757 6.64173 9.09234 4.98436 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 7.77758 5.94469 7.05653 5.71898 9.01624 6.76746 11.9796 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 7.77758 5.94469 7.05653 5.83796 9.55105 8.92098 12.3589 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 6.35849 7.43071 12.2922 4.1511 9.91384 7.79951 10.5007 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 10.9607 5.41321 7.57454 4.1511 9.91384 7.79951 12.8337 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 10.204 7.43071 19.0662 14.6485 15.9467 9.8009 22.1656 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 9.72615 5.41321 14.0608 14.6485 15.9467 9.8009 12.2851 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 4.69247 9.91384 7.79951 10.5007 numMergedOcc 0
26 mol 227 unq 5 iso 0 dist 8.65997 6.95902 6.43754 9.72615 5.41321 7.57454 4.69247 9.91384 7.79951 12.8337 numMergedOcc 0
27 mol 227 unq 6 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 4.1511 10.3016 7.79951 10.5007 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 10.282 14.2242 8.84648 7.57379 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 10.067 10.3406 6.23661 4.47425 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 10.282 11.7465 8.84648 7.57379 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 10.067 5.85442 6.23661 4.47425 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 11.4459 9.85289 14.7249 5.58776 12.9576 9.23897 16.5522 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 5.65568 9.0975 11.0343 4.57104 10.2229 7.52924 7.29477 numMergedOcc 0
34 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 5.0324 9.0975 11.0343 5.29852 10.2229 7.52924 7.29477 numMergedOcc 0
