0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 11.4878 7.2199 5.80437 9.5997 9.57198 4.45625 6.0397 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.47421 11.4878 7.2199 8.27962 9.29529 5.80437 9.5997 9.57198 6.0397 4.45625 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 6.42248 8.16689 6.26783 7.401 6.47855 10.3659 5.7332 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 7.45237 6.42248 8.16689 6.42104 8.43814 6.26783 7.401 6.47855 5.7332 10.3659 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 10.7082 5.55096 8.70414 6.39184 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 9.20119 16.2375 8.13782 5.67689 8.59109 14.5783 10.7082 5.55096 6.39184 8.70414 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 7.12541 8.71468 10.8421 11.3634 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 6.40841 5.64209 6.50297 4.55117 8.80108 7.57085 7.12541 8.71468 11.3634 10.8421 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.63333 10.6476 6.96494 5.92889 7.01363 6.49184 10.2049 9.11258 13.4366 8.88332 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.63333 5.92889 7.01363 10.6476 6.96494 6.49184 10.2049 9.11258 8.88332 13.4366 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 7.05413 7.01363 6.49184 5.49591 9.11258 13.4366 8.88332 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 8.89374 7.05413 7.01363 12.7331 6.96494 6.49184 5.49591 9.11258 8.88332 13.4366 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 6.46761 8.74789 6.96494 6.61756 7.01363 6.49184 5.85698 9.11258 13.4366 8.88332 numMergedOcc 0
13 mol 58 unq 3 iso 1 dist 6.46761 6.61756 7.01363 8.74789 6.96494 6.49184 5.85698 9.11258 8.88332 13.4366 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 11.387 8.71468 10.8421 11.3634 numMergedOcc 0
15 mol 58 unq 4 iso 1 dist 7.58407 8.74789 6.50297 14.7581 8.80108 7.57085 11.387 8.71468 11.3634 10.8421 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 9.73139 7.02095 6.96494 8.94672 7.01363 6.49184 12.2123 9.11258 13.4366 8.88332 numMergedOcc 0
17 mol 58 unq 5 iso 1 dist 9.73139 8.94672 7.01363 7.02095 6.96494 6.49184 12.2123 9.11258 8.88332 13.4366 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 5.74871 8.71468 10.8421 11.3634 numMergedOcc 0
19 mol 58 unq 6 iso 1 dist 6.31428 7.02095 6.50297 10.3782 8.80108 7.57085 5.74871 8.71468 11.3634 10.8421 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 6.95201 8.39249 7.68699 13.7032 9.83981 9.47219 14.0577 numMergedOcc 0
21 mol 114 unq 0 iso 1 dist 6.73814 6.95201 8.39249 12.1324 9.86739 7.68699 13.7032 9.83981 14.0577 9.47219 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 6.73814 12.1324 9.86739 5.9968 8.93623 11.9022 13.7032 9.83981 9.47219 10.6837 numMergedOcc 0
23 mol 114 unq 1 iso 1 dist 6.73814 5.9968 8.93623 12.1324 9.86739 11.9022 13.7032 9.83981 10.6837 9.47219 numMergedOcc 0
24 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 5.9968 8.93623 10.0883 13.7032 9.83981 14.0577 10.6837 numMergedOcc 0
25 mol 114 unq 1 iso 1 dist 6.73814 5.9968 8.93623 6.95201 8.39249 10.0883 13.7032 9.83981 10.6837 14.0577 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 10.2377 6.40036 9.37623 14.0688 7.70313 11.4407 5.67953 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 7.76729 10.2377 6.40036 6.34759 7.99631 9.37623 14.0688 7.70313 5.67953 11.4407 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 15.0734 9.05357 7.38238 5.92062 6.51868 6.00607 10.2267 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 7.92688 15.0734 9.05357 11.8989 9.94276 7.38238 5.92062 6.51868 10.2267 6.00607 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 7.92688 11.8989 9.94276 15.0734 9.05357 7.38238 6.61891 7.34698 12.0514 14.5639 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 7.92688 15.0734 9.05357 11.8989 9.94276 7.38238 6.61891 7.34698 14.5639 12.0514 numMergedOcc 0
32 mol 133 unq 2 iso 0 dist 7.92688 11.8989 9.94276 9.58627 5.99299 7.08159 5.92062 6.51868 6.00607 5.59913 numMergedOcc 0
33 mol 133 unq 2 iso 1 dist 7.92688 9.58627 5.99299 11.8989 9.94276 7.08159 5.92062 6.51868 5.59913 6.00607 numMergedOcc 0
34 mol 133 unq 3 iso 0 dist 7.92688 11.8989 9.94276 9.58627 5.99299 7.08159 6.61891 7.34698 12.0514 6.27692 numMergedOcc 0
35 mol 133 unq 3 iso 1 dist 7.92688 9.58627 5.99299 11.8989 9.94276 7.08159 6.61891 7.34698 6.27692 12.0514 numMergedOcc 0
36 mol 133 unq 2 iso 0 dist 7.92688 15.0734 9.05357 9.58627 5.99299 9.00907 5.92062 6.51868 10.2267 5.59913 numMergedOcc 0
37 mol 133 unq 2 iso 1 dist 7.92688 9.58627 5.99299 15.0734 9.05357 9.00907 5.92062 6.51868 5.59913 10.2267 numMergedOcc 0
38 mol 133 unq 3 iso 0 dist 7.92688 15.0734 9.05357 9.58627 5.99299 9.00907 6.61891 7.34698 14.5639 6.27692 numMergedOcc 0
39 mol 133 unq 3 iso 1 dist 7.92688 9.58627 5.99299 15.0734 9.05357 9.00907 6.61891 7.34698 6.27692 14.5639 numMergedOcc 0
40 mol 140 unq 0 iso 0 dist 6.95323 6.69673 5.63811 5.58533 7.49546 10.1725 5.64422 8.60108 4.35399 9.73775 numMergedOcc 0
41 mol 140 unq 0 iso 1 dist 6.95323 5.58533 7.49546 6.69673 5.63811 10.1725 5.64422 8.60108 9.73775 4.35399 numMergedOcc 0
42 mol 140 unq 1 iso 0 dist 7.27371 8.17877 5.63811 4.6872 7.49546 10.1725 7.3833 8.60108 4.35399 9.73775 numMergedOcc 0
43 mol 140 unq 1 iso 1 dist 7.27371 4.6872 7.49546 8.17877 5.63811 10.1725 7.3833 8.60108 9.73775 4.35399 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 7.16254 4.9093 6.51096 10.7896 8.73171 6.0706 10.4923 9.0529 7.6506 6.00473 numMergedOcc 0
45 mol 155 unq 0 iso 1 dist 7.16254 10.7896 8.73171 4.9093 6.51096 6.0706 10.4923 9.0529 6.00473 7.6506 numMergedOcc 0
46 mol 155 unq 1 iso 0 dist 9.14392 6.3437 6.51096 9.99927 8.73171 6.0706 6.89781 9.0529 7.6506 6.00473 numMergedOcc 0
47 mol 155 unq 1 iso 1 dist 9.14392 9.99927 8.73171 6.3437 6.51096 6.0706 6.89781 9.0529 6.00473 7.6506 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.6668 6.80228 8.20656 11.6919 9.40622 5.3528 9.34211 5.95304 4.43678 6.03415 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 9.6668 11.6919 9.40622 6.80228 8.20656 5.3528 9.34211 5.95304 6.03415 4.43678 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 7.12954 9.36396 15.6443 8.32583 9.47117 17.6349 5.25065 numMergedOcc 0
51 mol 225 unq 0 iso 1 dist 5.50387 7.12954 9.36396 10.7506 8.75834 15.6443 8.32583 9.47117 5.25065 17.6349 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 10.0059 7.43663 7.17691 4.51304 numMergedOcc 0
53 mol 234 unq 0 iso 1 dist 9.5707 12.1076 9.6101 5.56749 8.49841 10.9755 10.0059 7.43663 4.51304 7.17691 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 7.50578 11.5772 8.76313 7.44916 7.4363 6.24853 14.3125 8.92185 5.19922 10.2977 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 7.50578 7.44916 7.4363 11.5772 8.76313 6.24853 14.3125 8.92185 10.2977 5.19922 numMergedOcc 0
56 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 10.4895 8.39167 7.61559 5.43023 7.89388 6.0625 5.91256 numMergedOcc 0
57 mol 270 unq 0 iso 1 dist 8.25349 10.4895 8.39167 10.1677 9.16073 7.61559 5.43023 7.89388 5.91256 6.0625 numMergedOcc 0
