0 mol 4 unq 0 iso 0 dist 6.97734 5.60295 7.15474 11.7124 7.91149 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.97734 5.60295 7.15474 5.30385 5.39676 6.42755 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.74528 17.4352 9.81983 12.8782 6.76736 7.98326 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.74528 17.4352 9.81983 20.8263 13.5186 7.90478 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 8.55161 16.3739 8.26398 19.5757 11.3153 7.92012 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.26877 14.2257 7.11491 16.329 11.505 8.29857 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 7.99434 11.0398 7.11491 18.3273 11.505 8.29857 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 7.49794 13.7393 7.1829 16.1289 11.5388 8.19993 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 8.10222 11.0408 7.1829 18.3262 11.5388 8.19993 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.81735 5.5226 8.75957 11.782 10.1455 9.17082 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.75543 12.0977 8.84225 11.625 4.37918 8.03296 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.75543 12.0977 8.84225 15.1951 9.08423 5.82754 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 7.75543 12.0977 8.84225 11.3356 6.29733 8.87742 numMergedOcc 0
13 mol 79 unq 3 iso 0 dist 7.75543 8.15741 6.72546 11.625 4.37918 9.26979 numMergedOcc 0
14 mol 79 unq 4 iso 0 dist 7.75543 8.15741 6.72546 15.1951 9.08423 9.05679 numMergedOcc 0
15 mol 79 unq 5 iso 0 dist 7.75543 8.15741 6.72546 11.3356 6.29733 4.93468 numMergedOcc 0
16 mol 79 unq 6 iso 0 dist 6.65972 8.69896 6.86517 9.21479 5.84075 9.78384 numMergedOcc 0
17 mol 79 unq 7 iso 0 dist 6.65972 10.3307 8.33791 14.5226 13.333 9.26979 numMergedOcc 0
18 mol 79 unq 8 iso 0 dist 6.65972 10.3307 8.33791 16.3592 12.313 9.05679 numMergedOcc 0
19 mol 79 unq 9 iso 0 dist 6.65972 10.3307 8.33791 9.21479 5.84075 4.93468 numMergedOcc 0
20 mol 79 unq 10 iso 0 dist 4.2253 10.3307 7.38548 14.5226 10.3746 9.26979 numMergedOcc 0
21 mol 79 unq 11 iso 0 dist 4.2253 10.3307 7.38548 16.3592 12.3366 9.05679 numMergedOcc 0
22 mol 79 unq 12 iso 0 dist 4.2253 10.3307 7.38548 9.21479 5.41884 4.93468 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 4.91714 8.27358 6.89071 11.8611 8.93569 6.77241 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 4.91714 8.27358 6.89071 5.74593 3.98877 5.50508 numMergedOcc 0
25 mol 92 unq 2 iso 0 dist 6.34669 11.6215 8.43964 11.6917 7.08542 9.60622 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 5.23929 6.79091 5.56839 10.6611 5.90646 8.74378 numMergedOcc 0
27 mol 93 unq 1 iso 0 dist 5.23929 8.71469 7.83506 10.6611 5.90646 8.89417 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 5.23929 8.71469 7.83506 16.8627 12.949 9.95255 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.62413 11.2425 8.76518 14.5069 11.2713 5.9627 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 7.00616 5.87081 9.47429 9.38952 8.71368 6.73712 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 9.19653 11.8683 9.47429 12.9106 8.71368 6.73712 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 8.2236 6.50962 7.74874 4.87349 9.94624 7.34931 numMergedOcc 0
