0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 5.36195 8.43054 9.81307 13.862 5.32694 5.46498 11.1513 19.1237 10.4155 8.71745 16.7405 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 5.36195 8.43054 9.81307 19.1237 10.4155 8.71745 16.7405 13.862 5.32694 5.46498 11.1513 5.74188 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.99692 9.22598 9.87158 9.01612 5.30792 6.86465 13.3281 4.88613 4.81926 6.35756 8.96727 5.35073 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.36193 5.40367 6.62496 4.99692 9.22598 9.87158 4.88613 4.81926 6.35756 8.96727 9.01612 5.30792 6.86465 13.3281 5.35073 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 9.01612 5.35073 6.86465 13.3281 6.36193 4.81926 6.62496 9.22598 5.30792 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 6.36193 4.81926 6.62496 9.22598 9.01612 5.35073 6.86465 13.3281 5.30792 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 9.01612 5.35073 6.86465 11.5155 6.36193 4.81926 6.62496 9.55996 5.30792 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 6.36193 4.81926 6.62496 9.55996 9.01612 5.35073 6.86465 11.5155 5.30792 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 4.21749 8.68662 6.20232 11.0671 5.4148 9.96396 12.2276 13.2599 13.3558 8.70481 13.8931 14.9342 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 6.18305 4.69583 6.19304 4.21749 8.68662 6.20232 13.2599 13.3558 8.70481 13.8931 11.0671 5.4148 9.96396 12.2276 14.9342 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 5.65986 7.4369 5.70116 11.0671 5.4148 9.96396 9.73086 13.2599 13.3558 8.70481 12.8207 14.9342 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.18305 4.69583 6.19304 5.65986 7.4369 5.70116 13.2599 13.3558 8.70481 12.8207 11.0671 5.4148 9.96396 9.73086 14.9342 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 10.7244 5.42586 7.47541 10.2413 11.7434 10.1164 5.73196 11.2056 6.87425 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 11.7434 10.1164 5.73196 11.2056 10.7244 5.42586 7.47541 10.2413 6.87425 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 12.5791 16.6055 9.03572 19.7448 13.9545 13.8105 8.83255 19.9408 6.59319 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 13.9545 13.8105 8.83255 19.9408 12.5791 16.6055 9.03572 19.7448 6.59319 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 3.84879 9.74607 5.06946 12.5791 16.6055 9.03572 11.97 13.9545 13.8105 8.83255 13.5721 6.59319 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 3.84879 9.74607 5.06946 13.9545 13.8105 8.83255 13.5721 12.5791 16.6055 9.03572 11.97 6.59319 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 4.57067 6.04595 5.03039 14.0784 10.8507 5.83991 10.5599 13.3494 11.5723 7.88312 11.8378 8.02349 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 9.35868 8.25001 7.30858 4.57067 6.04595 5.03039 13.3494 11.5723 7.88312 11.8378 14.0784 10.8507 5.83991 10.5599 8.02349 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 3.76211 7.21868 8.06642 9.60411 5.49782 6.37586 7.93372 14.0674 8.80819 6.49416 11.988 5.00817 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 9.92932 10.5108 8.94367 3.76211 7.21868 8.06642 14.0674 8.80819 6.49416 11.988 9.60411 5.49782 6.37586 7.93372 5.00817 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 11.6349 9.33924 6.95573 9.92932 5.49782 8.94367 13.9752 14.0674 5.00817 6.49416 9.55584 8.80819 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 9.60411 10.5108 6.37586 11.6349 9.33924 6.95573 14.0674 5.00817 6.49416 9.55584 9.92932 5.49782 8.94367 13.9752 8.80819 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 9.92932 5.49782 8.94367 7.21868 14.0674 5.00817 6.49416 11.988 8.80819 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 14.0674 5.00817 6.49416 11.988 9.92932 5.49782 8.94367 7.21868 8.80819 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.55556 11.9294 8.94367 4.63732 7.21868 8.06642 12.1043 5.49782 6.37586 7.93372 16.0579 8.80819 6.49416 11.988 5.00817 numMergedOcc 0
27 mol 134 unq 3 iso 1 dist 9.55556 11.9294 8.94367 4.63732 7.21868 8.06642 16.0579 8.80819 6.49416 11.988 12.1043 5.49782 6.37586 7.93372 5.00817 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 10.8522 13.3522 8.01589 14.4477 10.0664 5.24516 7.7699 10.0233 10.4579 numMergedOcc 0
29 mol 222 unq 0 iso 1 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 10.0664 5.24516 7.7699 10.0233 10.8522 13.3522 8.01589 14.4477 10.4579 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 10.8522 13.3522 8.01589 16.3082 10.0664 5.24516 7.7699 11.839 10.4579 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 10.0664 5.24516 7.7699 11.839 10.8522 13.3522 8.01589 16.3082 10.4579 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 12.3795 4.86771 7.84554 12.8903 11.1503 6.96053 7.46176 6.95511 7.64658 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 11.1503 6.96053 7.46176 6.95511 12.3795 4.86771 7.84554 12.8903 7.64658 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 12.3795 4.86771 7.84554 12.8903 17.0226 10.4881 9.18903 17.104 5.87173 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 17.0226 10.4881 9.18903 17.104 12.3795 4.86771 7.84554 12.8903 5.87173 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 11.1503 6.96053 7.46176 6.95511 17.0226 10.4881 9.18903 17.104 10.5239 numMergedOcc 0
37 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 17.0226 10.4881 9.18903 17.104 11.1503 6.96053 7.46176 6.95511 10.5239 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 14.0139 6.96053 7.88519 10.3406 16.6234 7.64658 7.84554 12.8546 4.86771 numMergedOcc 0
39 mol 259 unq 2 iso 1 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 16.6234 7.64658 7.84554 12.8546 14.0139 6.96053 7.88519 10.3406 4.86771 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 14.0139 6.96053 7.88519 10.3406 20.0172 10.5239 9.18903 16.0301 10.4881 numMergedOcc 0
41 mol 259 unq 3 iso 1 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 20.0172 10.5239 9.18903 16.0301 14.0139 6.96053 7.88519 10.3406 10.4881 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 16.6234 7.64658 7.84554 12.8546 20.0172 10.5239 9.18903 16.0301 5.87173 numMergedOcc 0
43 mol 259 unq 3 iso 1 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 20.0172 10.5239 9.18903 16.0301 16.6234 7.64658 7.84554 12.8546 5.87173 numMergedOcc 0
44 mol 259 unq 4 iso 0 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 14.0139 6.96053 7.88519 9.46361 16.6234 7.64658 7.84554 12.8903 4.86771 numMergedOcc 0
45 mol 259 unq 4 iso 1 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 16.6234 7.64658 7.84554 12.8903 14.0139 6.96053 7.88519 9.46361 4.86771 numMergedOcc 0
46 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 14.0139 6.96053 7.88519 9.46361 20.0172 10.5239 9.18903 17.104 10.4881 numMergedOcc 0
47 mol 259 unq 5 iso 1 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 20.0172 10.5239 9.18903 17.104 14.0139 6.96053 7.88519 9.46361 10.4881 numMergedOcc 0
48 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 16.6234 7.64658 7.84554 12.8903 20.0172 10.5239 9.18903 17.104 5.87173 numMergedOcc 0
49 mol 259 unq 5 iso 1 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 20.0172 10.5239 9.18903 17.104 16.6234 7.64658 7.84554 12.8903 5.87173 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 8.57501 6.9795 6.92774 3.84082 9.21786 5.75897 11.7392 7.03728 9.01049 13.2256 15.145 8.55278 9.2983 14.5307 8.05475 numMergedOcc 0
51 mol 273 unq 0 iso 1 dist 8.57501 6.9795 6.92774 3.84082 9.21786 5.75897 15.145 8.55278 9.2983 14.5307 11.7392 7.03728 9.01049 13.2256 8.05475 numMergedOcc 0
