0 mol 20 unq 0 iso 0 dist 8.93826 6.36152 9.38691 9.42081 7.99756 13.1875 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.93826 6.36152 9.38691 5.6647 4.36087 8.26217 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.93826 9.33614 8.65986 9.42081 7.99756 14.6805 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 8.93826 9.33614 8.65986 5.6647 4.36087 9.51548 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 8.93826 12.0458 9.74724 9.42081 7.99756 15.502 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 8.93826 12.0458 9.74724 5.6647 4.36087 10.9502 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 7.17695 3.78294 9.38691 9.45728 7.99756 13.1875 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 7.17695 3.78294 9.38691 4.76485 4.36087 8.26217 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 7.17695 6.48654 8.65986 9.45728 7.99756 14.6805 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 7.17695 6.48654 8.65986 4.76485 4.36087 9.51548 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 7.17695 8.39164 9.74724 9.45728 7.99756 15.502 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 7.17695 8.39164 9.74724 4.76485 4.36087 10.9502 numMergedOcc 0
12 mol 20 unq 12 iso 0 dist 9.33207 6.48654 9.39462 4.76485 7.09639 9.51548 numMergedOcc 0
13 mol 20 unq 13 iso 0 dist 9.33207 8.39164 9.13347 4.76485 7.09639 10.9502 numMergedOcc 0
14 mol 28 unq 0 iso 0 dist 8.76224 14.5838 8.47637 7.77448 9.2146 13.7014 numMergedOcc 0
15 mol 62 unq 0 iso 0 dist 6.35779 3.54604 5.83263 5.46563 9.19512 8.86183 numMergedOcc 0
16 mol 63 unq 0 iso 0 dist 9.54314 5.02895 9.58748 7.78684 8.78414 3.3919 numMergedOcc 0
17 mol 68 unq 0 iso 0 dist 5.57551 9.10734 8.32093 6.56256 8.19932 5.69088 numMergedOcc 0
18 mol 78 unq 0 iso 0 dist 6.73466 10.214 8.70827 3.44873 9.38837 11.7395 numMergedOcc 0
19 mol 78 unq 1 iso 0 dist 6.73466 10.214 8.70827 10.3854 9.80913 6.52581 numMergedOcc 0
20 mol 78 unq 2 iso 0 dist 6.73466 14.9274 9.86479 3.44873 9.38837 17.0074 numMergedOcc 0
21 mol 78 unq 3 iso 0 dist 6.73466 14.9274 9.86479 10.3854 9.80913 10.4812 numMergedOcc 0
22 mol 81 unq 0 iso 0 dist 9.53663 8.74391 5.2168 7.58448 8.96045 5.62939 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 7.50458 9.58834 9.39809 6.22697 7.65903 3.38465 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 5.79554 9.58834 8.38775 6.22697 5.97653 3.38465 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.14525 13.3009 9.64977 5.22626 8.92135 9.48084 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 8.25174 6.51839 5.24631 7.54616 7.4185 9.21726 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 9.16671 9.34381 5.24631 3.69062 7.4185 9.21726 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 8.87165 14.1789 8.42716 10.0544 4.97301 5.19623 numMergedOcc 0
29 mol 205 unq 3 iso 0 dist 8.87165 12.6877 5.69652 10.0544 4.97301 3.45124 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 4.90656 6.37759 8.47836 4.91709 8.88902 10.308 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 7.88108 10.7811 9.68243 9.0549 8.51564 7.07474 numMergedOcc 0
