0 mol 1 unq 0 iso 0 dist 9.56692 7.42008 9.44115 8.19374 8.56884 6.44928 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.56692 5.96722 7.90928 8.19374 8.56884 6.35409 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.11402 11.4929 8.62693 3.99573 8.82012 10.2609 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.11402 11.4929 8.62693 14.3932 9.16962 4.09495 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 9.62318 8.47551 7.88576 13.2245 8.68559 14.4244 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.86276 5.93341 9.4909 5.46279 8.30646 8.66126 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.86276 9.48025 9.15288 5.46279 8.30646 6.38702 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.16546 14.472 9.4909 11.3763 8.30646 8.66126 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 8.16546 15.4424 9.15288 11.3763 8.30646 6.38702 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 5.42653 7.17147 9.30724 11.3925 8.39016 9.43289 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 5.42653 7.17147 9.30724 5.52097 6.99355 3.97343 numMergedOcc 0
11 mol 90 unq 2 iso 0 dist 8.71991 13.7205 9.30724 13.8549 8.39016 9.43289 numMergedOcc 0
12 mol 90 unq 3 iso 0 dist 8.71991 13.7205 9.30724 10.226 6.99355 3.97343 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 6.65315 5.17317 6.64631 4.6558 8.67367 3.96825 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.01727 11.6306 7.90328 9.63729 9.39469 10.071 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.01727 11.6306 7.90328 6.27843 4.76815 5.89399 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.53104 7.85305 5.58063 10.1501 7.64585 5.24961 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 9.08874 10.1416 9.58171 7.07738 6.62561 10.4485 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 9.08874 10.1416 9.58171 4.8798 7.63616 5.27151 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.87854 13.3215 8.95838 10.7944 7.39889 7.38295 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.87854 13.3215 8.95838 16.5599 9.63176 5.85391 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 9.87854 13.3215 8.95838 5.72463 7.44174 11.0075 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 9.87854 6.17994 9.47892 10.7944 7.39889 9.58951 numMergedOcc 0
23 mol 119 unq 4 iso 0 dist 9.87854 6.17994 9.47892 16.5599 9.63176 18.2257 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 9.87854 6.17994 9.47892 5.72463 7.44174 9.93013 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 5.30018 7.45055 7.63511 4.95483 8.36117 8.97729 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 9.69154 9.71601 8.32685 17.1306 8.99696 10.5326 numMergedOcc 0
27 mol 197 unq 1 iso 0 dist 9.69154 13.0921 6.74777 17.1306 8.99696 5.29309 numMergedOcc 0
28 mol 197 unq 2 iso 0 dist 9.69154 17.3782 9.62514 17.1306 8.99696 4.57437 numMergedOcc 0
29 mol 197 unq 3 iso 0 dist 9.49122 15.0474 8.32685 15.7335 8.99696 10.5326 numMergedOcc 0
30 mol 197 unq 4 iso 0 dist 9.49122 13.8252 6.74777 15.7335 8.99696 5.29309 numMergedOcc 0
31 mol 197 unq 5 iso 0 dist 9.49122 14.2846 9.62514 15.7335 8.99696 4.57437 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.54661 5.22428 9.94175 10.4397 5.38637 13.8985 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.54661 5.22428 9.94175 10.1821 6.55759 14.9782 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 6.54661 11.6082 8.81534 10.4397 5.38637 5.33567 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 6.54661 11.6082 8.81534 10.1821 6.55759 9.85437 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 8.62569 9.15071 8.44015 16.3793 9.0012 11.2529 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 7.15628 11.7507 7.12793 8.27402 7.34205 11.2287 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 7.15628 11.1933 6.21208 8.27402 7.34205 6.45145 numMergedOcc 0
