0 mol 24 unq 0 iso 0 dist 6.01284 9.45579 5.05643 5.02954 3.33439 4.56606 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.45579 6.01284 5.05643 5.02954 4.56606 3.33439 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.99016 6.41793 3.52812 8.55553 5.84083 5.16873 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 6.41793 7.99016 3.52812 8.55553 5.16873 5.84083 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 7.99016 6.41793 3.52812 5.00813 6.92307 7.52517 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 6.41793 7.99016 3.52812 5.00813 7.52517 6.92307 numMergedOcc 0
6 mol 39 unq 2 iso 0 dist 7.99016 6.50101 5.02447 8.55553 5.84083 3.08793 numMergedOcc 0
7 mol 39 unq 2 iso 1 dist 6.50101 7.99016 5.02447 8.55553 3.08793 5.84083 numMergedOcc 0
8 mol 39 unq 3 iso 0 dist 7.99016 6.50101 5.02447 5.00813 6.92307 4.6056 numMergedOcc 0
9 mol 39 unq 3 iso 1 dist 6.50101 7.99016 5.02447 5.00813 4.6056 6.92307 numMergedOcc 0
10 mol 39 unq 2 iso 0 dist 6.41793 6.50101 5.09114 8.55553 5.16873 3.08793 numMergedOcc 0
11 mol 39 unq 2 iso 1 dist 6.50101 6.41793 5.09114 8.55553 3.08793 5.16873 numMergedOcc 0
12 mol 39 unq 3 iso 0 dist 6.41793 6.50101 5.09114 5.00813 7.52517 4.6056 numMergedOcc 0
13 mol 39 unq 3 iso 1 dist 6.50101 6.41793 5.09114 5.00813 4.6056 7.52517 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 9.80137 8.34893 3.4604 5.54554 10.9307 10.9184 numMergedOcc 0
15 mol 48 unq 0 iso 1 dist 8.34893 9.80137 3.4604 5.54554 10.9184 10.9307 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 9.80137 8.34893 3.4604 6.84514 16.0168 14.9962 numMergedOcc 0
17 mol 48 unq 1 iso 1 dist 8.34893 9.80137 3.4604 6.84514 14.9962 16.0168 numMergedOcc 0
18 mol 48 unq 2 iso 0 dist 9.80137 8.34893 3.4604 8.95402 11.0434 12.4168 numMergedOcc 0
19 mol 48 unq 2 iso 1 dist 8.34893 9.80137 3.4604 8.95402 12.4168 11.0434 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 9.85865 8.74946 3.55124 5.5232 11.1315 11.3739 numMergedOcc 0
21 mol 48 unq 3 iso 1 dist 8.74946 9.85865 3.55124 5.5232 11.3739 11.1315 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 9.85865 8.74946 3.55124 7.05619 16.1553 15.5559 numMergedOcc 0
23 mol 48 unq 4 iso 1 dist 8.74946 9.85865 3.55124 7.05619 15.5559 16.1553 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 8.04168 5.70907 9.61175 8.51933 12.3073 3.29053 numMergedOcc 0
25 mol 79 unq 0 iso 1 dist 5.70907 8.04168 9.61175 8.51933 3.29053 12.3073 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 7.8435 5.99269 5.21654 6.46217 13.6138 12.3588 numMergedOcc 0
27 mol 93 unq 0 iso 1 dist 5.99269 7.8435 5.21654 6.46217 12.3588 13.6138 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 7.8435 5.71763 13.3531 6.46217 13.6138 4.98621 numMergedOcc 0
29 mol 93 unq 1 iso 1 dist 5.71763 7.8435 13.3531 6.46217 4.98621 13.6138 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 5.99269 5.71763 10.7398 6.46217 12.3588 4.98621 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 5.71763 5.99269 10.7398 6.46217 4.98621 12.3588 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 7.16698 8.68663 9.42812 8.56866 3.37746 8.45583 numMergedOcc 0
33 mol 143 unq 0 iso 1 dist 8.68663 7.16698 9.42812 8.56866 8.45583 3.37746 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 7.16698 8.68663 9.42812 5.66207 8.92479 5.94217 numMergedOcc 0
35 mol 143 unq 1 iso 1 dist 8.68663 7.16698 9.42812 5.66207 5.94217 8.92479 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 8.8864 8.12201 5.85034 5.20846 7.0121 3.4601 numMergedOcc 0
37 mol 198 unq 0 iso 1 dist 8.12201 8.8864 5.85034 5.20846 3.4601 7.0121 numMergedOcc 0
38 mol 198 unq 1 iso 0 dist 8.8864 5.45162 5.38093 5.20846 7.0121 4.35222 numMergedOcc 0
39 mol 198 unq 1 iso 1 dist 5.45162 8.8864 5.38093 5.20846 4.35222 7.0121 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 8.12201 5.45162 6.06126 5.20846 3.4601 4.35222 numMergedOcc 0
41 mol 198 unq 1 iso 1 dist 5.45162 8.12201 6.06126 5.20846 4.35222 3.4601 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 7.22664 7.15762 6.74332 7.5999 3.18526 9.28743 numMergedOcc 0
43 mol 250 unq 0 iso 1 dist 7.15762 7.22664 6.74332 7.5999 9.28743 3.18526 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 7.22664 7.15762 6.74332 9.50976 4.97183 6.00379 numMergedOcc 0
45 mol 250 unq 1 iso 1 dist 7.15762 7.22664 6.74332 9.50976 6.00379 4.97183 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 8.19529 6.45396 5.1765 9.76731 14.7399 10.4834 numMergedOcc 0
47 mol 252 unq 0 iso 1 dist 6.45396 8.19529 5.1765 9.76731 10.4834 14.7399 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 8.19529 6.45396 5.1765 8.38599 9.50623 4.73966 numMergedOcc 0
49 mol 252 unq 1 iso 1 dist 6.45396 8.19529 5.1765 8.38599 4.73966 9.50623 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 9.2558 9.84946 3.57128 8.42359 3.08474 6.12546 numMergedOcc 0
51 mol 292 unq 0 iso 1 dist 9.84946 9.2558 3.57128 8.42359 6.12546 3.08474 numMergedOcc 0
