0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 5.25456 7.37981 7.19621 13.5517 12.7599 9.95 9.6994 9.5614 13.3337 6.83587 7.15528 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.24206 6.19218 9.98828 5.25456 7.37981 7.19621 9.5614 13.3337 6.83587 7.15528 13.5517 12.7599 9.95 9.6994 7.19817 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 6.19218 8.24206 9.98828 5.25456 7.19621 7.37981 13.5517 9.95 12.7599 9.6994 9.5614 6.83587 13.3337 7.15528 7.19817 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 6.19218 8.24206 9.98828 5.25456 7.19621 7.37981 9.5614 6.83587 13.3337 7.15528 13.5517 9.95 12.7599 9.6994 7.19817 numMergedOcc 0
4 mol 0 unq 2 iso 0 dist 7.19397 7.96742 12.7706 7.1599 7.19621 15.0192 12.3538 9.95 19.0121 9.6994 5.55156 6.83587 11.962 7.15528 7.19817 numMergedOcc 0
5 mol 0 unq 2 iso 1 dist 7.19397 7.96742 12.7706 7.1599 7.19621 15.0192 5.55156 6.83587 11.962 7.15528 12.3538 9.95 19.0121 9.6994 7.19817 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 7.46414 9.23576 12.6659 8.80956 7.35595 9.58231 7.50293 12.4417 8.59794 14.6297 9.91611 5.79773 numMergedOcc 0
7 mol 38 unq 0 iso 1 dist 5.86972 7.55357 9.56267 7.46414 9.23576 12.6659 12.4417 8.59794 14.6297 9.91611 8.80956 7.35595 9.58231 7.50293 5.79773 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 6.32949 9.62468 5.92705 9.59947 10.7369 5.4671 6.65721 12.3891 11.5608 10.1513 6.72123 6.86346 numMergedOcc 0
9 mol 61 unq 0 iso 1 dist 8.30431 4.628 8.0979 6.32949 9.62468 5.92705 12.3891 11.5608 10.1513 6.72123 9.59947 10.7369 5.4671 6.65721 6.86346 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 4.628 8.30431 8.0979 6.32949 5.92705 9.62468 9.59947 5.4671 10.7369 6.65721 12.3891 10.1513 11.5608 6.72123 6.86346 numMergedOcc 0
11 mol 61 unq 1 iso 1 dist 4.628 8.30431 8.0979 6.32949 5.92705 9.62468 12.3891 10.1513 11.5608 6.72123 9.59947 5.4671 10.7369 6.65721 6.86346 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 10.392 10.4716 8.31041 9.96396 6.30194 5.2774 5.44275 6.19304 5.4148 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 6.30194 5.2774 5.44275 6.19304 10.392 10.4716 8.31041 9.96396 5.4148 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 10.392 10.4716 8.31041 9.96396 18.5427 13.9156 11.2674 8.70481 14.9342 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 18.5427 13.9156 11.2674 8.70481 10.392 10.4716 8.31041 9.96396 14.9342 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 6.30194 5.2774 5.44275 6.19304 18.5427 13.9156 11.2674 8.70481 13.3558 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 18.5427 13.9156 11.2674 8.70481 6.30194 5.2774 5.44275 6.19304 13.3558 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 10.392 10.4716 11.7069 9.96396 6.30194 5.2774 8.0624 6.19304 5.4148 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 6.30194 5.2774 8.0624 6.19304 10.392 10.4716 11.7069 9.96396 5.4148 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 10.392 10.4716 11.7069 9.96396 18.5427 13.9156 14.5102 8.70481 14.9342 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 18.5427 13.9156 14.5102 8.70481 10.392 10.4716 11.7069 9.96396 14.9342 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 6.30194 5.2774 8.0624 6.19304 18.5427 13.9156 14.5102 8.70481 13.3558 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 18.5427 13.9156 14.5102 8.70481 6.30194 5.2774 8.0624 6.19304 13.3558 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 10.392 8.31041 10.4716 9.96396 6.30194 5.44275 5.2774 6.19304 5.4148 numMergedOcc 0
25 mol 73 unq 4 iso 1 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 6.30194 5.44275 5.2774 6.19304 10.392 8.31041 10.4716 9.96396 5.4148 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 10.392 8.31041 10.4716 9.96396 18.5427 11.2674 13.9156 8.70481 14.9342 numMergedOcc 0
27 mol 73 unq 5 iso 1 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 18.5427 11.2674 13.9156 8.70481 10.392 8.31041 10.4716 9.96396 14.9342 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 6.30194 5.44275 5.2774 6.19304 18.5427 11.2674 13.9156 8.70481 13.3558 numMergedOcc 0
29 mol 73 unq 5 iso 1 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 18.5427 11.2674 13.9156 8.70481 6.30194 5.44275 5.2774 6.19304 13.3558 numMergedOcc 0
30 mol 73 unq 6 iso 0 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 10.392 8.31041 11.7069 9.96396 6.30194 5.44275 8.0624 6.19304 5.4148 numMergedOcc 0
31 mol 73 unq 6 iso 1 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 6.30194 5.44275 8.0624 6.19304 10.392 8.31041 11.7069 9.96396 5.4148 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 10.392 8.31041 11.7069 9.96396 18.5427 11.2674 14.5102 8.70481 14.9342 numMergedOcc 0
33 mol 73 unq 7 iso 1 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 18.5427 11.2674 14.5102 8.70481 10.392 8.31041 11.7069 9.96396 14.9342 numMergedOcc 0
34 mol 73 unq 7 iso 0 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 6.30194 5.44275 8.0624 6.19304 18.5427 11.2674 14.5102 8.70481 13.3558 numMergedOcc 0
35 mol 73 unq 7 iso 1 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 18.5427 11.2674 14.5102 8.70481 6.30194 5.44275 8.0624 6.19304 13.3558 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 8.67865 9.56884 14.4981 5.1767 4.98104 12.9107 10.9081 10.7572 16.6292 7.4729 10.3582 5.50764 13.3752 6.82344 8.95922 numMergedOcc 0
37 mol 92 unq 0 iso 1 dist 8.67865 9.56884 14.4981 5.1767 4.98104 12.9107 10.3582 5.50764 13.3752 6.82344 10.9081 10.7572 16.6292 7.4729 8.95922 numMergedOcc 0
38 mol 92 unq 1 iso 0 dist 8.67865 8.40148 10.1168 5.1767 4.98104 10.7379 10.9081 10.7572 17.1668 7.4729 10.3582 5.50764 11.6339 6.82344 8.95922 numMergedOcc 0
39 mol 92 unq 1 iso 1 dist 8.67865 8.40148 10.1168 5.1767 4.98104 10.7379 10.3582 5.50764 11.6339 6.82344 10.9081 10.7572 17.1668 7.4729 8.95922 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 12.3723 11.5099 9.78176 9.0018 6.73365 5.50014 6.15969 5.6234 6.2715 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 6.73365 5.50014 6.15969 5.6234 12.3723 11.5099 9.78176 9.0018 6.2715 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 12.3723 11.5099 9.78176 9.0018 9.45659 7.39186 11.0866 6.57069 8.16421 numMergedOcc 0
43 mol 175 unq 1 iso 1 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 9.45659 7.39186 11.0866 6.57069 12.3723 11.5099 9.78176 9.0018 8.16421 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 6.73365 5.50014 6.15969 5.6234 9.45659 7.39186 11.0866 6.57069 5.35493 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 9.45659 7.39186 11.0866 6.57069 6.73365 5.50014 6.15969 5.6234 5.35493 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 12.3723 11.5099 12.1783 9.0018 6.73365 5.50014 7.28617 5.6234 6.2715 numMergedOcc 0
47 mol 175 unq 2 iso 1 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 6.73365 5.50014 7.28617 5.6234 12.3723 11.5099 12.1783 9.0018 6.2715 numMergedOcc 0
48 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 12.3723 11.5099 12.1783 9.0018 9.45659 7.39186 5.77256 6.57069 8.16421 numMergedOcc 0
49 mol 175 unq 3 iso 1 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 9.45659 7.39186 5.77256 6.57069 12.3723 11.5099 12.1783 9.0018 8.16421 numMergedOcc 0
50 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 6.73365 5.50014 7.28617 5.6234 9.45659 7.39186 5.77256 6.57069 5.35493 numMergedOcc 0
51 mol 175 unq 3 iso 1 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 9.45659 7.39186 5.77256 6.57069 6.73365 5.50014 7.28617 5.6234 5.35493 numMergedOcc 0
52 mol 175 unq 4 iso 0 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 12.3723 12.1783 9.78176 9.0018 6.73365 7.28617 6.15969 5.6234 6.2715 numMergedOcc 0
53 mol 175 unq 4 iso 1 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 6.73365 7.28617 6.15969 5.6234 12.3723 12.1783 9.78176 9.0018 6.2715 numMergedOcc 0
54 mol 175 unq 5 iso 0 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 12.3723 12.1783 9.78176 9.0018 9.45659 5.77256 11.0866 6.57069 8.16421 numMergedOcc 0
55 mol 175 unq 5 iso 1 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 9.45659 5.77256 11.0866 6.57069 12.3723 12.1783 9.78176 9.0018 8.16421 numMergedOcc 0
56 mol 175 unq 5 iso 0 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 6.73365 7.28617 6.15969 5.6234 9.45659 5.77256 11.0866 6.57069 5.35493 numMergedOcc 0
57 mol 175 unq 5 iso 1 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 9.45659 5.77256 11.0866 6.57069 6.73365 7.28617 6.15969 5.6234 5.35493 numMergedOcc 0
58 mol 175 unq 6 iso 0 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 12.3723 12.1783 11.5099 9.0018 6.73365 7.28617 5.50014 5.6234 6.2715 numMergedOcc 0
59 mol 175 unq 6 iso 1 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 6.73365 7.28617 5.50014 5.6234 12.3723 12.1783 11.5099 9.0018 6.2715 numMergedOcc 0
60 mol 175 unq 7 iso 0 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 12.3723 12.1783 11.5099 9.0018 9.45659 5.77256 7.39186 6.57069 8.16421 numMergedOcc 0
61 mol 175 unq 7 iso 1 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 9.45659 5.77256 7.39186 6.57069 12.3723 12.1783 11.5099 9.0018 8.16421 numMergedOcc 0
62 mol 175 unq 7 iso 0 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 6.73365 7.28617 5.50014 5.6234 9.45659 5.77256 7.39186 6.57069 5.35493 numMergedOcc 0
63 mol 175 unq 7 iso 1 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 9.45659 5.77256 7.39186 6.57069 6.73365 7.28617 5.50014 5.6234 5.35493 numMergedOcc 0
64 mol 178 unq 0 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 18.3231 12.2822 17.6107 6.69288 19.4581 12.4338 17.049 6.43573 5.34677 numMergedOcc 0
65 mol 178 unq 0 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 19.4581 12.4338 17.049 6.43573 18.3231 12.2822 17.6107 6.69288 5.34677 numMergedOcc 0
66 mol 178 unq 1 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 18.3231 12.2822 17.6107 6.69288 17.5964 13.9722 15.9288 7.17202 11.7381 numMergedOcc 0
67 mol 178 unq 1 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.5964 13.9722 15.9288 7.17202 18.3231 12.2822 17.6107 6.69288 11.7381 numMergedOcc 0
68 mol 178 unq 2 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 18.3231 12.2822 17.6107 6.69288 17.9703 13.5599 14.5626 8.81551 14.0703 numMergedOcc 0
69 mol 178 unq 2 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.9703 13.5599 14.5626 8.81551 18.3231 12.2822 17.6107 6.69288 14.0703 numMergedOcc 0
70 mol 178 unq 1 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 19.4581 12.4338 17.049 6.43573 17.5964 13.9722 15.9288 7.17202 9.89739 numMergedOcc 0
71 mol 178 unq 1 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.5964 13.9722 15.9288 7.17202 19.4581 12.4338 17.049 6.43573 9.89739 numMergedOcc 0
72 mol 178 unq 2 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 19.4581 12.4338 17.049 6.43573 17.9703 13.5599 14.5626 8.81551 10.5529 numMergedOcc 0
73 mol 178 unq 2 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.9703 13.5599 14.5626 8.81551 19.4581 12.4338 17.049 6.43573 10.5529 numMergedOcc 0
74 mol 178 unq 2 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.5964 13.9722 15.9288 7.17202 17.9703 13.5599 14.5626 8.81551 5.18005 numMergedOcc 0
75 mol 178 unq 2 iso 1 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.9703 13.5599 14.5626 8.81551 17.5964 13.9722 15.9288 7.17202 5.18005 numMergedOcc 0
76 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 18.7061 12.4611 12.9938 9.65138 17.5046 11.832 12.227 7.14453 9.10746 numMergedOcc 0
77 mol 214 unq 0 iso 1 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 17.5046 11.832 12.227 7.14453 18.7061 12.4611 12.9938 9.65138 9.10746 numMergedOcc 0
78 mol 214 unq 1 iso 0 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 18.7061 12.4611 12.9938 9.65138 18.1374 10.644 13.8655 8.85478 4.40923 numMergedOcc 0
79 mol 214 unq 1 iso 1 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 18.1374 10.644 13.8655 8.85478 18.7061 12.4611 12.9938 9.65138 4.40923 numMergedOcc 0
80 mol 214 unq 1 iso 0 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 17.5046 11.832 12.227 7.14453 18.1374 10.644 13.8655 8.85478 11.3796 numMergedOcc 0
81 mol 214 unq 1 iso 1 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 18.1374 10.644 13.8655 8.85478 17.5046 11.832 12.227 7.14453 11.3796 numMergedOcc 0
82 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.19375 7.31105 10.2676 15.0279 14.6296 19.1028 9.23153 13.2107 9.52692 13.0368 8.24498 10.5449 numMergedOcc 0
83 mol 220 unq 0 iso 1 dist 7.57712 7.20255 5.88344 6.19375 7.31105 10.2676 13.2107 9.52692 13.0368 8.24498 15.0279 14.6296 19.1028 9.23153 10.5449 numMergedOcc 0
84 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 12.5843 7.29898 8.91685 12.4678 6.6173 5.25611 7.57994 15.0782 8.95486 9.66184 6.18582 5.01979 numMergedOcc 0
85 mol 249 unq 0 iso 1 dist 6.18866 9.3807 5.2966 12.5843 7.29898 8.91685 15.0782 8.95486 9.66184 6.18582 12.4678 6.6173 5.25611 7.57994 5.01979 numMergedOcc 0
86 mol 249 unq 1 iso 0 dist 9.3807 6.18866 5.2966 12.5843 8.91685 7.29898 12.4678 5.25611 6.6173 7.57994 15.0782 9.66184 8.95486 6.18582 5.01979 numMergedOcc 0
87 mol 249 unq 1 iso 1 dist 9.3807 6.18866 5.2966 12.5843 8.91685 7.29898 15.0782 9.66184 8.95486 6.18582 12.4678 5.25611 6.6173 7.57994 5.01979 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 9.78068 8.58088 15.2652 14.0712 10.221 18.663 6.60405 8.81059 9.22664 13.8694 6.42289 7.26417 numMergedOcc 0
89 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 9.78068 8.58088 15.2652 8.81059 9.22664 13.8694 6.42289 14.0712 10.221 18.663 6.60405 7.26417 numMergedOcc 0
