0 mol 0 unq 0 iso 0 dist 7.37981 9.98828 7.19621 12.7599 9.6994 9.95 10.169 9.23213 11.8799 5.08793 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19621 9.98828 7.37981 9.95 9.6994 12.7599 11.8799 9.23213 10.169 5.08793 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.37981 9.98828 7.19621 12.7599 9.6994 9.95 11.9257 8.81979 5.13546 5.63197 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 9.98828 7.37981 9.95 9.6994 12.7599 5.13546 8.81979 11.9257 5.63197 numMergedOcc 0
4 mol 0 unq 2 iso 0 dist 7.37981 9.98828 7.19621 13.3337 7.15528 6.83587 10.169 9.23213 11.8799 10.4498 numMergedOcc 0
5 mol 0 unq 2 iso 1 dist 7.19621 9.98828 7.37981 6.83587 7.15528 13.3337 11.8799 9.23213 10.169 10.4498 numMergedOcc 0
6 mol 0 unq 3 iso 0 dist 7.37981 9.98828 7.19621 13.3337 7.15528 6.83587 11.9257 8.81979 5.13546 5.52201 numMergedOcc 0
7 mol 0 unq 3 iso 1 dist 7.19621 9.98828 7.37981 6.83587 7.15528 13.3337 5.13546 8.81979 11.9257 5.52201 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.59893 5.42328 5.59773 11.9881 9.5589 13.9079 10.8658 5.02241 10.352 6.91765 numMergedOcc 0
9 mol 54 unq 0 iso 1 dist 5.59773 5.42328 6.59893 13.9079 9.5589 11.9881 10.352 5.02241 10.8658 6.91765 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.59893 5.42328 5.59773 10.3564 6.83299 10.4238 10.8658 5.02241 10.352 5.06052 numMergedOcc 0
11 mol 54 unq 1 iso 1 dist 5.59773 5.42328 6.59893 10.4238 6.83299 10.3564 10.352 5.02241 10.8658 5.06052 numMergedOcc 0
12 mol 54 unq 2 iso 0 dist 6.59893 5.42328 5.59773 12.4254 8.10861 10.1356 10.8658 5.02241 10.352 10.1332 numMergedOcc 0
13 mol 54 unq 2 iso 1 dist 5.59773 5.42328 6.59893 10.1356 8.10861 12.4254 10.352 5.02241 10.8658 10.1332 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 9.62468 8.0979 5.92705 10.7369 6.65721 5.4671 6.91052 8.76003 7.34319 5.83489 numMergedOcc 0
15 mol 61 unq 0 iso 1 dist 5.92705 8.0979 9.62468 5.4671 6.65721 10.7369 7.34319 8.76003 6.91052 5.83489 numMergedOcc 0
16 mol 61 unq 1 iso 0 dist 9.62468 8.0979 5.92705 11.5608 6.72123 10.1513 6.91052 8.76003 7.34319 7.39396 numMergedOcc 0
17 mol 61 unq 1 iso 1 dist 5.92705 8.0979 9.62468 10.1513 6.72123 11.5608 7.34319 8.76003 6.91052 7.39396 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.97145 8.09035 6.5874 14.257 6.85062 7.60371 10.4276 6.91348 4.96935 6.19596 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.5874 8.09035 8.97145 7.60371 6.85062 14.257 4.96935 6.91348 10.4276 6.19596 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 8.97145 8.09035 6.5874 14.257 6.85062 7.60371 14.8011 9.51418 7.83921 6.6499 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 6.5874 8.09035 8.97145 7.60371 6.85062 14.257 7.83921 9.51418 14.8011 6.6499 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.69888 7.01839 5.08206 11.5099 9.0018 12.1783 14.6255 9.8589 11.5085 8.22779 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 5.08206 7.01839 8.69888 12.1783 9.0018 11.5099 11.5085 9.8589 14.6255 8.22779 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 8.69888 7.01839 5.08206 5.50014 5.6234 7.28617 14.6255 9.8589 11.5085 10.5631 numMergedOcc 0
25 mol 175 unq 1 iso 1 dist 5.08206 7.01839 8.69888 7.28617 5.6234 5.50014 11.5085 9.8589 14.6255 10.5631 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 8.69888 7.01839 5.08206 7.39186 6.57069 5.77256 14.6255 9.8589 11.5085 7.5414 numMergedOcc 0
27 mol 175 unq 2 iso 1 dist 5.08206 7.01839 8.69888 5.77256 6.57069 7.39186 11.5085 9.8589 14.6255 7.5414 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 6.56437 6.35724 6.23882 14.2632 8.95269 15.0038 11.7838 7.06793 9.57742 9.36098 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 6.23882 6.35724 6.56437 15.0038 8.95269 14.2632 9.57742 7.06793 11.7838 9.36098 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 6.56437 6.35724 6.23882 14.2632 8.95269 15.0038 10.4999 6.67585 12.0368 5.29877 numMergedOcc 0
31 mol 224 unq 1 iso 1 dist 6.23882 6.35724 6.56437 15.0038 8.95269 14.2632 12.0368 6.67585 10.4999 5.29877 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 6.56437 10.9885 9.53131 14.2632 8.95269 9.59595 11.7838 7.06793 8.30442 9.36098 numMergedOcc 0
33 mol 224 unq 2 iso 1 dist 9.53131 10.9885 6.56437 9.59595 8.95269 14.2632 8.30442 7.06793 11.7838 9.36098 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 6.56437 10.9885 9.53131 14.2632 8.95269 9.59595 10.4999 6.67585 4.63666 5.29877 numMergedOcc 0
35 mol 224 unq 3 iso 1 dist 9.53131 10.9885 6.56437 9.59595 8.95269 14.2632 4.63666 6.67585 10.4999 5.29877 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 6.56437 14.4585 9.34636 14.2632 8.95269 5.63485 11.7838 7.06793 5.46434 9.36098 numMergedOcc 0
37 mol 224 unq 4 iso 1 dist 9.34636 14.4585 6.56437 5.63485 8.95269 14.2632 5.46434 7.06793 11.7838 9.36098 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 6.56437 14.4585 9.34636 14.2632 8.95269 5.63485 10.4999 6.67585 5.03449 5.29877 numMergedOcc 0
39 mol 224 unq 5 iso 1 dist 9.34636 14.4585 6.56437 5.63485 8.95269 14.2632 5.03449 6.67585 10.4999 5.29877 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 6.23882 13.2305 9.53131 15.0038 8.95269 9.59595 9.57742 7.06793 8.30442 9.36098 numMergedOcc 0
41 mol 224 unq 2 iso 1 dist 9.53131 13.2305 6.23882 9.59595 8.95269 15.0038 8.30442 7.06793 9.57742 9.36098 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 6.23882 13.2305 9.53131 15.0038 8.95269 9.59595 12.0368 6.67585 4.63666 5.29877 numMergedOcc 0
43 mol 224 unq 3 iso 1 dist 9.53131 13.2305 6.23882 9.59595 8.95269 15.0038 4.63666 6.67585 12.0368 5.29877 numMergedOcc 0
44 mol 224 unq 4 iso 0 dist 6.23882 14.027 9.34636 15.0038 8.95269 5.63485 9.57742 7.06793 5.46434 9.36098 numMergedOcc 0
45 mol 224 unq 4 iso 1 dist 9.34636 14.027 6.23882 5.63485 8.95269 15.0038 5.46434 7.06793 9.57742 9.36098 numMergedOcc 0
46 mol 224 unq 5 iso 0 dist 6.23882 14.027 9.34636 15.0038 8.95269 5.63485 12.0368 6.67585 5.03449 5.29877 numMergedOcc 0
47 mol 224 unq 5 iso 1 dist 9.34636 14.027 6.23882 5.63485 8.95269 15.0038 5.03449 6.67585 12.0368 5.29877 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 9.53131 7.4034 9.34636 9.59595 8.95269 5.63485 8.30442 7.06793 5.46434 9.36098 numMergedOcc 0
49 mol 224 unq 4 iso 1 dist 9.34636 7.4034 9.53131 5.63485 8.95269 9.59595 5.46434 7.06793 8.30442 9.36098 numMergedOcc 0
50 mol 224 unq 5 iso 0 dist 9.53131 7.4034 9.34636 9.59595 8.95269 5.63485 4.63666 6.67585 5.03449 5.29877 numMergedOcc 0
51 mol 224 unq 5 iso 1 dist 9.34636 7.4034 9.53131 5.63485 8.95269 9.59595 5.03449 6.67585 4.63666 5.29877 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.31417 4.85921 5.56719 6.62361 5.72887 5.96552 18.4149 9.29858 14.7671 13.069 numMergedOcc 0
53 mol 238 unq 0 iso 1 dist 5.56719 4.85921 9.31417 5.96552 5.72887 6.62361 14.7671 9.29858 18.4149 13.069 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 7.29898 5.2966 8.91685 6.6173 7.57994 5.25611 4.16447 8.83735 6.74838 5.23473 numMergedOcc 0
55 mol 249 unq 0 iso 1 dist 8.91685 5.2966 7.29898 5.25611 7.57994 6.6173 6.74838 8.83735 4.16447 5.23473 numMergedOcc 0
56 mol 249 unq 1 iso 0 dist 7.29898 5.2966 8.91685 8.95486 6.18582 9.66184 4.16447 8.83735 6.74838 7.38675 numMergedOcc 0
57 mol 249 unq 1 iso 1 dist 8.91685 5.2966 7.29898 9.66184 6.18582 8.95486 6.74838 8.83735 4.16447 7.38675 numMergedOcc 0
58 mol 253 unq 0 iso 0 dist 7.7993 8.46336 6.10761 13.0587 9.02271 4.70422 14.5897 7.19465 8.77813 7.92528 numMergedOcc 0
59 mol 253 unq 0 iso 1 dist 6.10761 8.46336 7.7993 4.70422 9.02271 13.0587 8.77813 7.19465 14.5897 7.92528 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 5.67266 6.38894 5.80981 9.63727 8.04483 9.60898 5.41716 8.8673 5.37323 10.1236 numMergedOcc 0
61 mol 282 unq 0 iso 1 dist 5.80981 6.38894 5.67266 9.60898 8.04483 9.63727 5.37323 8.8673 5.41716 10.1236 numMergedOcc 0
62 mol 282 unq 1 iso 0 dist 5.67266 6.38894 5.80981 4.58403 8.76532 10.5698 5.41716 8.8673 5.37323 8.14825 numMergedOcc 0
63 mol 282 unq 1 iso 1 dist 5.80981 6.38894 5.67266 10.5698 8.76532 4.58403 5.37323 8.8673 5.41716 8.14825 numMergedOcc 0
64 mol 282 unq 2 iso 0 dist 5.67266 6.38894 5.80981 5.04235 6.33524 8.37652 5.41716 8.8673 5.37323 7.36881 numMergedOcc 0
65 mol 282 unq 2 iso 1 dist 5.80981 6.38894 5.67266 8.37652 6.33524 5.04235 5.37323 8.8673 5.41716 7.36881 numMergedOcc 0
66 mol 282 unq 3 iso 0 dist 5.67266 12.9312 9.63346 9.63727 8.04483 4.85461 5.41716 8.8673 14.5422 10.1236 numMergedOcc 0
67 mol 282 unq 3 iso 1 dist 9.63346 12.9312 5.67266 4.85461 8.04483 9.63727 14.5422 8.8673 5.41716 10.1236 numMergedOcc 0
68 mol 282 unq 4 iso 0 dist 5.67266 12.9312 9.63346 4.58403 8.76532 13.108 5.41716 8.8673 14.5422 8.14825 numMergedOcc 0
69 mol 282 unq 4 iso 1 dist 9.63346 12.9312 5.67266 13.108 8.76532 4.58403 14.5422 8.8673 5.41716 8.14825 numMergedOcc 0
70 mol 282 unq 5 iso 0 dist 5.67266 12.9312 9.63346 5.04235 6.33524 8.85797 5.41716 8.8673 14.5422 7.36881 numMergedOcc 0
71 mol 282 unq 5 iso 1 dist 9.63346 12.9312 5.67266 8.85797 6.33524 5.04235 14.5422 8.8673 5.41716 7.36881 numMergedOcc 0
72 mol 282 unq 3 iso 0 dist 5.80981 12.8857 9.63346 9.60898 8.04483 4.85461 5.37323 8.8673 14.5422 10.1236 numMergedOcc 0
73 mol 282 unq 3 iso 1 dist 9.63346 12.8857 5.80981 4.85461 8.04483 9.60898 14.5422 8.8673 5.37323 10.1236 numMergedOcc 0
74 mol 282 unq 4 iso 0 dist 5.80981 12.8857 9.63346 10.5698 8.76532 13.108 5.37323 8.8673 14.5422 8.14825 numMergedOcc 0
75 mol 282 unq 4 iso 1 dist 9.63346 12.8857 5.80981 13.108 8.76532 10.5698 14.5422 8.8673 5.37323 8.14825 numMergedOcc 0
76 mol 282 unq 5 iso 0 dist 5.80981 12.8857 9.63346 8.37652 6.33524 8.85797 5.37323 8.8673 14.5422 7.36881 numMergedOcc 0
77 mol 282 unq 5 iso 1 dist 9.63346 12.8857 5.80981 8.85797 6.33524 8.37652 14.5422 8.8673 5.37323 7.36881 numMergedOcc 0
