0 mol 41 unq 0 iso 0 dist 7.41523 11.098 6.42834 9.02927 5.0364 8.51663 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.23418 6.66825 5.55096 11.876 5.54436 9.53378 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 12.818 13.9007 8.80614 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.63008 5.3464 7.46994 11.0733 5.94559 9.25641 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 8.07958 6.19026 7.46994 11.6497 5.94559 9.25641 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.74341 9.70436 6.04903 14.1203 11.7069 7.56205 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 8.74341 9.70436 6.04903 12.7661 5.49555 4.74544 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.31622 12.7532 9.32552 14.0521 5.3948 9.97159 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 10.6752 15.8792 9.82915 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.77398 10.2038 8.84087 15.5292 14.0712 9.14926 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.06229 14.42 8.84087 19.8703 14.0712 9.14926 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 5.68207 10.2038 8.1856 15.5292 10.3289 9.14926 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 9.39237 9.31627 9.44952 17.8736 14.7359 8.84535 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 9.39237 9.31627 9.44952 14.325 7.00857 8.82188 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 7.08808 5.57422 7.30946 10.0709 5.07967 7.30357 numMergedOcc 0
15 mol 174 unq 0 iso 0 dist 8.79469 7.20832 7.47932 6.90813 8.37744 9.87122 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.82604 10.5886 5.95304 7.15963 8.25067 8.90963 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.22583 6.15536 5.97685 9.50454 9.60512 5.9176 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.62037 4.19412 5.97685 9.72791 9.60512 5.9176 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 6.21461 4.19412 8.9289 9.72791 13.3389 5.9176 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 6.86439 10.4416 8.1931 13.5549 8.77858 9.83827 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.58887 16.018 8.90076 11.5361 5.11565 7.57812 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.58887 16.018 8.90076 12.6734 11.0401 9.24557 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 8.58887 14.4465 6.62002 11.5361 5.11565 8.69104 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.08534 4.35114 6.66959 10.8463 7.83758 7.49645 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 8.08534 4.35114 6.66959 11.4641 7.8399 9.9222 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 7.83102 4.65134 6.71375 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 6.71956 4.91325 5.81266 11.6909 6.78222 8.98576 numMergedOcc 0
28 mol 271 unq 1 iso 0 dist 6.71956 4.91325 5.81266 12.0622 6.20098 8.92636 numMergedOcc 0
29 mol 271 unq 2 iso 0 dist 7.2452 4.22972 5.81266 12.4963 6.78222 8.98576 numMergedOcc 0
30 mol 271 unq 3 iso 0 dist 7.2452 4.22972 5.81266 10.6162 6.20098 8.92636 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 14.6523 5.98906 9.88863 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 15.0951 5.98906 9.88863 numMergedOcc 0
