0 mol 13 unq 0 iso 0 dist 6.11444 8.63643 4.0489 5.61058 7.39086 9.45635 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.8701 9.33067 7.69713 12.2556 9.84743 7.52933 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.90701 8.21247 9.05723 5.39546 9.89546 6.6263 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90701 8.21247 9.05723 12.2906 14.792 6.75943 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.05264 5.63499 3.9531 5.55291 10.0183 7.28228 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.20427 9.79061 12.7893 4.78435 13.0916 9.73086 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.20427 9.79061 12.7893 6.33833 10.3501 7.4369 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.68809 8.40389 14.1047 5.0333 13.7123 5.7144 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 7.28945 8.40461 9.21982 5.28089 5.36351 6.89918 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 7.28945 8.40461 9.21982 4.50065 9.16685 7.89457 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.72411 6.32527 6.78984 5.96003 6.52446 6.41689 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.72411 6.32527 6.78984 4.96848 12.2528 9.07758 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.74367 9.47168 6.15234 5.74656 6.85239 7.68266 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 5.74367 9.47168 6.15234 11.2312 11.1937 7.6616 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 5.74367 9.47168 6.15234 6.67469 5.72735 9.2289 numMergedOcc 0
15 mol 167 unq 3 iso 0 dist 5.74367 9.76579 5.75062 5.74656 6.85239 6.84752 numMergedOcc 0
16 mol 167 unq 4 iso 0 dist 5.74367 9.76579 5.75062 11.2312 11.1937 7.86563 numMergedOcc 0
17 mol 167 unq 5 iso 0 dist 5.74367 9.76579 5.75062 6.67469 5.72735 7.02548 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.11956 8.09915 4.4877 5.25279 9.37545 9.3498 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.11956 8.09915 4.4877 9.29114 6.02579 7.05695 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.93215 7.80421 3.61565 5.92474 5.62219 8.63693 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.60727 7.99441 10.308 9.84386 14.0597 5.56538 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 8.60727 6.71817 10.9701 9.84386 14.0597 7.48954 numMergedOcc 0
