0 mol 43 unq 0 iso 0 dist 9.16827 10.4149 6.75943 14.9909 8.13395 6.6263 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.04193 7.43516 9.97769 10.365 5.23069 9.32706 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.04193 7.43516 9.97769 7.15486 7.5247 9.08221 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.15486 7.43516 9.08221 7.04193 7.5247 9.97769 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 7.15486 7.43516 9.08221 10.365 10.0658 9.32706 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.28737 15.5785 9.85905 15.3483 10.2879 6.72869 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.89185 6.12049 8.65848 10.0852 7.19663 6.85523 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 7.80757 8.07529 6.85523 5.5849 7.19663 8.65848 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 5.5849 8.07529 8.65848 7.80757 7.19663 6.85523 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 9.2835 14.1127 6.85523 16.1568 7.19663 8.65848 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 5.02591 10.5433 6.85523 11.3317 7.19663 8.65848 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 8.75605 13.4429 8.65848 11.3959 7.19663 6.85523 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 8.89514 10.0938 7.47974 14.8373 9.1532 8.40422 numMergedOcc 0
13 mol 89 unq 1 iso 0 dist 8.89514 10.0938 7.47974 13.0089 4.8812 8.40425 numMergedOcc 0
14 mol 89 unq 2 iso 0 dist 8.89514 10.0938 7.47974 15.3243 10.4087 5.51831 numMergedOcc 0
15 mol 89 unq 3 iso 0 dist 8.89514 10.0938 7.47974 18.2331 10.8948 9.65149 numMergedOcc 0
16 mol 89 unq 4 iso 0 dist 9.51842 5.87704 7.47974 12.838 9.1532 8.40422 numMergedOcc 0
17 mol 89 unq 5 iso 0 dist 9.51842 5.87704 7.47974 11.1247 4.8812 8.40425 numMergedOcc 0
18 mol 89 unq 6 iso 0 dist 9.51842 5.87704 7.47974 8.25651 10.4087 5.51831 numMergedOcc 0
19 mol 89 unq 7 iso 0 dist 9.51842 5.87704 7.47974 11.0479 10.8948 9.65149 numMergedOcc 0
20 mol 89 unq 8 iso 0 dist 8.25651 5.87704 5.51831 12.838 6.50464 8.40422 numMergedOcc 0
21 mol 89 unq 9 iso 0 dist 8.25651 5.87704 5.51831 11.1247 8.46794 8.40425 numMergedOcc 0
22 mol 89 unq 10 iso 0 dist 8.25651 5.87704 5.51831 9.51842 10.4087 7.47974 numMergedOcc 0
23 mol 89 unq 11 iso 0 dist 8.25651 5.87704 5.51831 11.0479 5.45013 9.65149 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.59784 13.4766 7.64052 14.5254 9.93257 8.95212 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 8.59784 13.4766 7.64052 13.3176 4.85907 6.99446 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 9.0339 3.48657 6.89918 8.48641 4.35917 7.89457 numMergedOcc 0
27 mol 132 unq 1 iso 0 dist 8.48641 3.48657 7.89457 9.0339 4.35917 6.89918 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 9.73922 6.35125 7.68266 12.0077 6.44246 7.6616 numMergedOcc 0
29 mol 167 unq 1 iso 0 dist 9.73922 6.35125 7.68266 10.9735 4.70068 9.2289 numMergedOcc 0
30 mol 167 unq 2 iso 0 dist 9.73922 8.80332 6.84752 12.0077 6.44246 7.86563 numMergedOcc 0
31 mol 167 unq 3 iso 0 dist 9.73922 8.80332 6.84752 10.9735 4.70068 7.02548 numMergedOcc 0
32 mol 167 unq 4 iso 0 dist 6.64164 12.0503 9.2289 10.7773 4.70068 7.68266 numMergedOcc 0
33 mol 167 unq 5 iso 0 dist 6.64164 12.0503 9.2289 16.1532 10.3445 7.6616 numMergedOcc 0
34 mol 167 unq 6 iso 0 dist 6.64164 10.1276 7.02548 10.7773 4.70068 6.84752 numMergedOcc 0
35 mol 167 unq 7 iso 0 dist 6.64164 10.1276 7.02548 16.1532 10.3445 7.86563 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 11.5553 5.43601 6.86828 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 7.13194 13.1414 9.72188 21.1494 15.7907 9.12776 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 7.80166 6.10342 9.72188 14.66 15.7907 9.12776 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 9.2521 12.95 9.08509 17.4908 10.1813 6.99888 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.49599 9.41512 9.46361 9.47382 6.96053 6.95511 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.47382 11.8307 5.85442 18.3451 9.98105 6.9899 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.47382 9.41512 6.95511 6.49599 6.96053 9.46361 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 6.8133 11.4338 9.9182 11.8481 10.3106 7.30758 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 6.8133 11.4338 9.9182 17.3348 12.1693 9.10788 numMergedOcc 0
45 mol 292 unq 2 iso 0 dist 6.8133 12.3949 8.9221 17.3348 12.1693 8.85064 numMergedOcc 0
46 mol 292 unq 3 iso 0 dist 5.69465 5.92893 8.38121 11.4267 11.8061 9.90967 numMergedOcc 0
