0 mol 9 unq 0 iso 0 dist 9.29529 7.2199 5.80437 9.57198 4.45625 6.0397 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.2199 9.29529 5.80437 9.57198 6.0397 4.45625 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.55901 9.03412 10.3706 8.90835 4.46241 7.91976 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 9.03412 8.55901 10.3706 8.90835 7.91976 4.46241 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 8.43814 8.16689 6.26783 6.47855 10.3659 5.7332 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 8.16689 8.43814 6.26783 6.47855 5.7332 10.3659 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.59109 8.13782 14.5783 5.55096 8.70414 6.39184 numMergedOcc 0
7 mol 45 unq 0 iso 1 dist 8.13782 8.59109 14.5783 5.55096 6.39184 8.70414 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.80108 6.50297 7.57085 8.71468 10.8421 11.3634 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 6.50297 8.80108 7.57085 8.71468 11.3634 10.8421 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.96494 7.01363 6.49184 9.11258 13.4366 8.88332 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 7.01363 6.96494 6.49184 9.11258 8.88332 13.4366 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.86739 8.39249 7.68699 9.83981 9.47219 14.0577 numMergedOcc 0
13 mol 114 unq 0 iso 1 dist 8.39249 9.86739 7.68699 9.83981 14.0577 9.47219 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.86739 8.93623 11.9022 9.83981 9.47219 10.6837 numMergedOcc 0
15 mol 114 unq 1 iso 1 dist 8.93623 9.86739 11.9022 9.83981 10.6837 9.47219 numMergedOcc 0
16 mol 114 unq 2 iso 0 dist 9.86739 9.49413 12.0339 8.809 6.76585 13.9603 numMergedOcc 0
17 mol 114 unq 2 iso 1 dist 9.49413 9.86739 12.0339 8.809 13.9603 6.76585 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 8.39249 8.93623 10.0883 9.83981 14.0577 10.6837 numMergedOcc 0
19 mol 114 unq 1 iso 1 dist 8.93623 8.39249 10.0883 9.83981 10.6837 14.0577 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.99631 6.40036 9.37623 7.70313 11.4407 5.67953 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 6.40036 7.99631 9.37623 7.70313 5.67953 11.4407 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.94276 9.05357 7.38238 6.51868 6.00607 10.2267 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 9.05357 9.94276 7.38238 6.51868 10.2267 6.00607 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 9.94276 9.05357 7.38238 7.34698 12.0514 14.5639 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 9.05357 9.94276 7.38238 7.34698 14.5639 12.0514 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 9.94276 5.99299 7.08159 6.51868 6.00607 5.59913 numMergedOcc 0
27 mol 133 unq 2 iso 1 dist 5.99299 9.94276 7.08159 6.51868 5.59913 6.00607 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 9.94276 5.99299 7.08159 7.34698 12.0514 6.27692 numMergedOcc 0
29 mol 133 unq 3 iso 1 dist 5.99299 9.94276 7.08159 7.34698 6.27692 12.0514 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 9.05357 5.99299 9.00907 6.51868 10.2267 5.59913 numMergedOcc 0
31 mol 133 unq 2 iso 1 dist 5.99299 9.05357 9.00907 6.51868 5.59913 10.2267 numMergedOcc 0
32 mol 133 unq 3 iso 0 dist 9.05357 5.99299 9.00907 7.34698 14.5639 6.27692 numMergedOcc 0
33 mol 133 unq 3 iso 1 dist 5.99299 9.05357 9.00907 7.34698 6.27692 14.5639 numMergedOcc 0
34 mol 140 unq 0 iso 0 dist 5.63811 7.49546 10.1725 8.60108 4.35399 9.73775 numMergedOcc 0
35 mol 140 unq 0 iso 1 dist 7.49546 5.63811 10.1725 8.60108 9.73775 4.35399 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 8.55681 6.2135 10.8776 5.52683 6.76437 5.39904 numMergedOcc 0
37 mol 141 unq 0 iso 1 dist 6.2135 8.55681 10.8776 5.52683 5.39904 6.76437 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 6.51096 8.73171 6.0706 9.0529 7.6506 6.00473 numMergedOcc 0
39 mol 155 unq 0 iso 1 dist 8.73171 6.51096 6.0706 9.0529 6.00473 7.6506 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 8.20656 9.40622 5.3528 5.95304 4.43678 6.03415 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.40622 8.20656 5.3528 5.95304 6.03415 4.43678 numMergedOcc 0
42 mol 225 unq 0 iso 0 dist 8.75834 9.36396 15.6443 9.47117 17.6349 5.25065 numMergedOcc 0
43 mol 225 unq 0 iso 1 dist 9.36396 8.75834 15.6443 9.47117 5.25065 17.6349 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 8.49841 9.6101 10.9755 7.43663 7.17691 4.51304 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 9.6101 8.49841 10.9755 7.43663 4.51304 7.17691 numMergedOcc 0
46 mol 250 unq 0 iso 0 dist 8.86638 5.94383 4.81479 6.28538 7.73342 5.66455 numMergedOcc 0
47 mol 250 unq 0 iso 1 dist 5.94383 8.86638 4.81479 6.28538 5.66455 7.73342 numMergedOcc 0
48 mol 250 unq 1 iso 0 dist 8.86638 8.16469 9.82907 6.28538 7.73342 4.45194 numMergedOcc 0
49 mol 250 unq 1 iso 1 dist 8.16469 8.86638 9.82907 6.28538 4.45194 7.73342 numMergedOcc 0
50 mol 250 unq 2 iso 0 dist 5.94383 7.88284 6.59053 6.44252 6.40578 9.48491 numMergedOcc 0
51 mol 250 unq 2 iso 1 dist 7.88284 5.94383 6.59053 6.44252 9.48491 6.40578 numMergedOcc 0
52 mol 250 unq 1 iso 0 dist 5.94383 8.16469 6.17591 6.28538 5.66455 4.45194 numMergedOcc 0
53 mol 250 unq 1 iso 1 dist 8.16469 5.94383 6.17591 6.28538 4.45194 5.66455 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 8.76313 7.4363 6.24853 8.92185 5.19922 10.2977 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 7.4363 8.76313 6.24853 8.92185 10.2977 5.19922 numMergedOcc 0
56 mol 270 unq 0 iso 0 dist 9.16073 8.39167 7.61559 7.89388 6.0625 5.91256 numMergedOcc 0
57 mol 270 unq 0 iso 1 dist 8.39167 9.16073 7.61559 7.89388 5.91256 6.0625 numMergedOcc 0
