0 mol 55 unq 0 iso 0 dist 5.7638 8.55679 5.41839 8.24934 8.03646 13.0255 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 8.55679 5.7638 5.41839 8.24934 13.0255 8.03646 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.42444 9.64736 7.56588 8.10965 9.03322 5.86578 numMergedOcc 0
3 mol 103 unq 0 iso 1 dist 9.64736 9.42444 7.56588 8.10965 5.86578 9.03322 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 8.54297 9.35162 6.8513 8.20389 5.18427 3.93522 numMergedOcc 0
5 mol 128 unq 0 iso 1 dist 9.35162 8.54297 6.8513 8.20389 3.93522 5.18427 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 8.94096 7.64207 4.05522 5.52837 7.71763 7.53392 numMergedOcc 0
7 mol 132 unq 0 iso 1 dist 7.64207 8.94096 4.05522 5.52837 7.53392 7.71763 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 8.13344 13.3296 16.4289 numMergedOcc 0
9 mol 133 unq 0 iso 1 dist 9.22456 5.59311 5.01776 8.13344 16.4289 13.3296 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 8.13344 13.3296 6.49614 numMergedOcc 0
11 mol 133 unq 1 iso 1 dist 5.7232 5.59311 10.5425 8.13344 6.49614 13.3296 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.22456 5.7232 12.3753 8.13344 16.4289 6.49614 numMergedOcc 0
13 mol 133 unq 1 iso 1 dist 5.7232 9.22456 12.3753 8.13344 6.49614 16.4289 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 7.69136 9.30912 5.38362 5.83952 5.3105 5.82905 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 9.30912 7.69136 5.38362 5.83952 5.82905 5.3105 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.6856 9.98868 4.84513 9.44669 6.30651 10.8524 numMergedOcc 0
17 mol 258 unq 0 iso 1 dist 9.98868 8.6856 4.84513 9.44669 10.8524 6.30651 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.8678 8.00278 4.78111 9.4961 17.1354 14.487 numMergedOcc 0
19 mol 266 unq 0 iso 1 dist 8.00278 9.8678 4.78111 9.4961 14.487 17.1354 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 9.8678 8.00278 4.78111 8.08479 17.2672 15.9267 numMergedOcc 0
21 mol 266 unq 1 iso 1 dist 8.00278 9.8678 4.78111 8.08479 15.9267 17.2672 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.10275 6.13722 4.78111 7.07099 10.5702 6.1113 numMergedOcc 0
23 mol 266 unq 2 iso 1 dist 6.13722 9.10275 4.78111 7.07099 6.1113 10.5702 numMergedOcc 0
24 mol 266 unq 3 iso 0 dist 9.10275 6.13722 4.78111 8.83873 7.16658 8.64084 numMergedOcc 0
25 mol 266 unq 3 iso 1 dist 6.13722 9.10275 4.78111 8.83873 8.64084 7.16658 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 9.10275 6.13722 4.78111 8.3978 17.1354 14.487 numMergedOcc 0
27 mol 266 unq 4 iso 1 dist 6.13722 9.10275 4.78111 8.3978 14.487 17.1354 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.75212 7.90634 10.5217 9.04355 9.33717 5.66584 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 7.90634 7.75212 10.5217 9.04355 5.66584 9.33717 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.75212 7.90634 10.5217 8.50508 11.7739 5.27724 numMergedOcc 0
31 mol 287 unq 1 iso 1 dist 7.90634 7.75212 10.5217 8.50508 5.27724 11.7739 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.75212 7.90634 10.5217 9.04355 9.33717 5.66584 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 7.90634 7.75212 10.5217 9.04355 5.66584 9.33717 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.75212 7.90634 10.5217 8.50508 11.7739 5.27724 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 7.90634 7.75212 10.5217 8.50508 5.27724 11.7739 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.75212 7.90634 10.5217 9.04355 9.33717 5.66584 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 7.90634 7.75212 10.5217 9.04355 5.66584 9.33717 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.75212 7.90634 10.5217 8.50508 11.7739 5.27724 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 7.90634 7.75212 10.5217 8.50508 5.27724 11.7739 numMergedOcc 0
