0 mol 11 unq 0 iso 0 dist 4.79838 7.5901 9.81983 8.73067 6.76736 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.79838 7.5901 9.81983 13.873 13.5186 7.90478 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.02387 4.70231 5.7836 10.0196 3.50984 8.29857 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.92898 4.70231 5.89173 10.0196 12.69 8.29857 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.44353 12.8187 7.20729 15.9645 11.7978 8.19993 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 4.74786 8.13678 5.7836 7.34031 3.50984 8.29857 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.16443 12.9941 7.11491 17.206 11.505 8.29857 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 4.53565 8.24402 5.82264 7.281 3.65036 8.19993 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.53722 12.7671 7.32996 16.0286 11.7253 8.29857 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.08628 13.0328 7.1829 17.448 11.5388 8.19993 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.03391 11.5435 8.75957 15.2349 10.1455 9.17082 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.11491 6.49291 6.86517 9.63599 5.84075 9.78384 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.11491 7.82761 8.33791 15.9914 13.333 9.26979 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 9.11491 7.82761 8.33791 12.6003 12.313 9.05679 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 9.11491 7.82761 8.33791 9.63599 5.84075 4.93468 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 7.90338 5.97134 6.2576 11.031 6.07693 8.03296 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 7.90338 5.97134 6.2576 7.87237 5.25584 9.26979 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 7.90338 9.00783 8.96069 11.031 6.07693 5.82754 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 7.90338 9.00783 8.96069 7.87237 5.25584 9.05679 numMergedOcc 0
19 mol 79 unq 8 iso 0 dist 7.90338 4.52595 7.56495 12.9276 13.2204 9.78384 numMergedOcc 0
20 mol 79 unq 9 iso 0 dist 7.90338 4.52595 7.56495 11.031 6.07693 8.87742 numMergedOcc 0
21 mol 79 unq 10 iso 0 dist 7.90338 4.52595 7.56495 7.87237 5.25584 4.93468 numMergedOcc 0
22 mol 79 unq 11 iso 0 dist 5.82384 8.45612 7.38548 12.9076 10.3746 9.26979 numMergedOcc 0
23 mol 79 unq 12 iso 0 dist 5.82384 8.45612 7.38548 15.9614 12.3366 9.05679 numMergedOcc 0
24 mol 79 unq 13 iso 0 dist 5.82384 8.45612 7.38548 9.71811 5.41884 4.93468 numMergedOcc 0
25 mol 79 unq 14 iso 0 dist 7.08462 4.52595 7.63923 12.9276 10.8598 9.78384 numMergedOcc 0
26 mol 79 unq 15 iso 0 dist 7.08462 4.52595 7.63923 11.031 10.8556 8.87742 numMergedOcc 0
27 mol 79 unq 16 iso 0 dist 7.08462 4.52595 7.63923 7.87237 5.79629 4.93468 numMergedOcc 0
28 mol 79 unq 17 iso 0 dist 7.15907 4.58851 7.38548 12.5384 10.3746 9.26979 numMergedOcc 0
29 mol 79 unq 18 iso 0 dist 7.15907 4.58851 7.38548 13.5439 12.3366 9.05679 numMergedOcc 0
30 mol 79 unq 19 iso 0 dist 7.15907 4.58851 7.38548 8.01743 5.41884 4.93468 numMergedOcc 0
31 mol 102 unq 0 iso 0 dist 7.68537 6.34242 6.07633 13.2332 7.28191 8.88394 numMergedOcc 0
32 mol 116 unq 0 iso 0 dist 6.28029 4.94926 8.58308 6.49383 4.13755 8.38606 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 8.86956 6.6028 8.98175 13.5279 9.06432 9.73158 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 8.86956 6.6028 8.98175 13.4968 11.2951 7.59327 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 6.50336 7.64948 9.59109 4.25566 3.80087 9.83945 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 6.50336 7.64948 9.59109 7.31037 3.80763 6.75376 numMergedOcc 0
37 mol 141 unq 2 iso 0 dist 6.50336 7.64948 9.59109 13.4855 9.98068 9.10042 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.24036 4.47395 5.25762 9.49226 5.39534 6.21159 numMergedOcc 0
39 mol 250 unq 0 iso 0 dist 8.73744 7.73342 9.25035 5.97993 4.14699 9.70149 numMergedOcc 0
40 mol 250 unq 1 iso 0 dist 6.61917 5.66455 9.25035 6.44252 4.14699 9.70149 numMergedOcc 0
41 mol 260 unq 0 iso 0 dist 5.30187 4.73121 4.52405 11.5615 9.36278 9.32954 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.85661 4.60275 8.09181 11.4246 8.87313 6.88827 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.85661 4.60275 8.09181 9.20749 6.97575 9.16942 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 8.13595 5.7252 6.23115 13.3793 12.1127 8.20644 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 9.53713 4.481 7.99204 10.785 5.75106 6.95912 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 9.53713 4.481 7.99204 10.785 5.75106 6.95912 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 9.53713 4.481 7.99204 10.785 5.75106 6.95912 numMergedOcc 0
