0 mol 58 unq 0 iso 0 dist 5.40287 5.52874 5.38524 10.079 5.61579 6.81627 9.02602 8.69057 5.47421 7.32874 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 5.40287 5.52874 5.38524 10.079 5.61579 6.81627 14.5211 13.1897 9.7274 9.55426 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 5.40287 9.02602 8.69057 10.079 5.61579 7.32874 5.52874 5.38524 5.47421 6.81627 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 5.40287 9.02602 8.69057 10.079 5.61579 7.32874 14.5211 13.1897 5.90225 9.55426 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.54537 4.31214 7.80898 12.6459 12.1193 9.36773 6.91627 12.785 5.57085 8.31336 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 5.15951 7.41993 7.86666 14.3528 13.0886 7.34473 12.3669 14.3511 7 8.58044 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 5.15951 7.41993 7.86666 14.3528 13.0886 7.34473 14.2751 15.7916 8.40993 9.97763 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.15473 10.0436 8.19331 8.98848 3.55765 7.83136 14.6144 10.4223 7.22206 7.90328 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 8.15473 10.0436 8.19331 8.98848 3.55765 7.83136 6.81312 8.85711 7.21564 7.0603 numMergedOcc 0
9 mol 117 unq 2 iso 0 dist 8.15473 6.81312 8.85711 8.98848 3.55765 7.0603 14.6144 10.4223 9.3584 7.90328 numMergedOcc 0
10 mol 117 unq 3 iso 0 dist 8.15473 6.81312 8.85711 8.98848 3.55765 7.0603 10.0436 8.19331 7.21564 7.83136 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.25027 4.28997 7.22643 11.7225 6.9945 8.22656 9.61798 10.4642 6.65743 7.24514 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 6.91573 4.67662 9.2313 7.18287 6.14151 5.32922 5.31024 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 9.64785 12.444 7.81207 12.0967 5.81599 7.73169 7.18287 6.14151 5.32922 7.26382 numMergedOcc 0
14 mol 142 unq 2 iso 0 dist 9.64785 7.18287 6.14151 6.91573 4.67662 5.31024 12.444 7.81207 5.32922 9.2313 numMergedOcc 0
15 mol 142 unq 3 iso 0 dist 9.64785 7.18287 6.14151 12.0967 5.81599 7.26382 12.444 7.81207 5.32922 7.73169 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 13.2594 5.39112 8.56324 12.1481 6.70693 7.65448 6.70283 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.77567 5.29694 6.59889 13.2594 5.39112 8.56324 15.875 10.4895 10.6875 7.16148 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.77567 12.1481 6.70693 14.2479 4.94983 5.87555 15.875 10.4895 5.49936 8.87437 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 9.77567 12.1481 6.70693 13.2594 5.39112 6.70283 5.29694 6.59889 7.65448 8.56324 numMergedOcc 0
20 mol 152 unq 4 iso 0 dist 9.77567 12.1481 6.70693 13.2594 5.39112 6.70283 15.875 10.4895 5.49936 7.16148 numMergedOcc 0
21 mol 152 unq 5 iso 0 dist 9.77567 12.1481 6.70693 18.7855 9.67475 8.67331 15.875 10.4895 5.49936 8.05741 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 14.6912 12.9532 9.1374 16.1714 13.2783 8.88798 5.98885 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.24772 7.89844 9.76212 14.6912 12.9532 9.1374 19.945 18.2853 12.1628 9.15386 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.09756 6.15341 6.61112 13.1651 11.0961 7.54065 19.714 18.4751 13.8792 9.70748 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 5.09756 6.15341 6.61112 13.1651 11.0961 7.54065 9.77429 11.456 5.74635 8.87694 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 11.5635 6.84862 7.21333 18.1845 14.4477 13.3522 8.01589 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 7.79613 5.02064 5.56538 11.5635 6.84862 7.21333 9.23666 10.0233 5.24516 7.7699 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.55819 5.30529 6.99769 11.1386 5.76843 6.65832 10.5504 8.79428 6.77699 6.60589 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.55819 5.30529 6.99769 11.1386 5.76843 6.65832 12.7033 6.8692 11.328 9.16166 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.55819 10.5504 8.79428 13.6981 7.05804 6.57273 14.8764 13.2325 4.70378 8.95269 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 8.55819 10.5504 8.79428 13.6981 7.05804 6.57273 12.7033 6.8692 8.49799 5.78342 numMergedOcc 0
32 mol 224 unq 4 iso 0 dist 8.55819 10.5504 8.79428 11.1386 5.76843 6.60589 5.30529 6.99769 6.77699 6.65832 numMergedOcc 0
33 mol 224 unq 5 iso 0 dist 8.55819 10.5504 8.79428 11.1386 5.76843 6.60589 12.7033 6.8692 8.49799 9.16166 numMergedOcc 0
34 mol 224 unq 6 iso 0 dist 8.55819 12.7033 6.8692 13.6981 7.05804 5.78342 14.8764 13.2325 11.5372 8.95269 numMergedOcc 0
35 mol 224 unq 7 iso 0 dist 8.55819 12.7033 6.8692 13.6981 7.05804 5.78342 10.5504 8.79428 8.49799 6.57273 numMergedOcc 0
36 mol 224 unq 8 iso 0 dist 8.55819 12.7033 6.8692 11.1386 5.76843 9.16166 5.30529 6.99769 11.328 6.65832 numMergedOcc 0
37 mol 224 unq 9 iso 0 dist 8.55819 12.7033 6.8692 11.1386 5.76843 9.16166 10.5504 8.79428 8.49799 6.60589 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 14.7537 7.22525 7.03423 14.04 11.9869 6.84129 9.06952 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 11.283 10.067 7.46176 6.00315 10.3406 6.96053 7.88519 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 9.93282 5.69584 5.85442 11.283 10.067 7.46176 6.72493 12.8546 7.64658 7.84554 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 9.93282 5.69584 5.85442 11.283 10.067 7.46176 11.1715 16.0301 10.5239 9.18903 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 8.90555 6.00315 9.46361 13.2261 12.2293 8.13497 16.0777 18.7675 10.582 8.53687 numMergedOcc 0
43 mol 259 unq 4 iso 0 dist 8.90555 6.00315 9.46361 11.283 11.6988 7.88519 6.72493 12.8903 4.86771 7.84554 numMergedOcc 0
44 mol 259 unq 5 iso 0 dist 8.90555 6.00315 9.46361 11.283 11.6988 7.88519 5.69584 6.95511 6.96053 7.46176 numMergedOcc 0
45 mol 259 unq 6 iso 0 dist 8.90555 6.00315 9.46361 11.283 11.6988 7.88519 11.1715 17.104 10.4881 9.18903 numMergedOcc 0
46 mol 259 unq 7 iso 0 dist 8.90555 5.69584 6.95511 11.283 11.6988 7.46176 6.00315 9.46361 6.96053 7.88519 numMergedOcc 0
47 mol 259 unq 8 iso 0 dist 8.90555 5.69584 6.95511 11.283 11.6988 7.46176 6.72493 12.8903 7.64658 7.84554 numMergedOcc 0
48 mol 259 unq 9 iso 0 dist 8.90555 5.69584 6.95511 11.283 11.6988 7.46176 11.1715 17.104 10.5239 9.18903 numMergedOcc 0
49 mol 259 unq 10 iso 0 dist 6.93417 9.13047 9.07743 11.1914 8.8603 8.13497 5.07898 7.66153 4.69778 7.88519 numMergedOcc 0
50 mol 259 unq 11 iso 0 dist 6.93417 5.07898 7.66153 11.1914 8.8603 7.88519 9.13047 9.07743 4.69778 8.13497 numMergedOcc 0
