0 mol 27 unq 0 iso 0 dist 8.11206 6.78936 10.1896 14.0224 9.58751 15.154 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.18766 7.11053 5.19476 4.84198 5.9972 8.78511 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.55901 8.38156 10.4688 12.0023 9.56614 6.52283 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.55901 7.79336 10.3961 12.0023 9.56614 16.8828 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 8.55901 7.08559 7.52709 12.0023 9.56614 15.2804 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.59109 5.81001 11.9463 3.82801 9.44125 8.91959 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.90952 6.52887 8.83983 3.75088 8.10723 10.2632 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 6.90952 8.35444 6.61741 3.75088 8.10723 6.23509 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.55681 4.26972 6.37052 10.3318 6.40751 10.3229 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 6.33838 5.79911 5.4245 4.69617 6.21648 6.94187 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 5.89018 8.66162 4.08137 3.99343 4.51124 7.33774 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 5.89018 8.66162 4.08137 11.4601 8.41517 6.39122 numMergedOcc 0
12 mol 204 unq 2 iso 0 dist 5.89018 5.3819 9.11693 6.68247 7.76863 8.23717 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.57853 8.61306 16.2592 4.36581 9.39609 11.3734 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.75834 5.93063 11.3004 14.7677 9.27079 16.8535 numMergedOcc 0
15 mol 228 unq 0 iso 0 dist 7.46689 8.6457 10.2762 5.63283 8.29523 13.0996 numMergedOcc 0
16 mol 228 unq 1 iso 0 dist 7.46689 8.8055 5.65339 5.63283 8.29523 11.3148 numMergedOcc 0
17 mol 228 unq 2 iso 0 dist 8.37287 7.84881 6.68878 3.65229 8.29523 8.92379 numMergedOcc 0
18 mol 228 unq 3 iso 0 dist 8.07174 7.86746 6.64821 3.62742 8.13557 9.06403 numMergedOcc 0
19 mol 228 unq 4 iso 0 dist 7.09766 8.66946 10.268 5.34726 8.13557 12.7378 numMergedOcc 0
20 mol 228 unq 5 iso 0 dist 7.09766 8.55761 5.73271 5.34726 8.13557 11.0131 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.49841 9.11572 11.8229 11.8096 5.69634 11.3034 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 9.6101 7.20293 11.8229 6.12476 5.69634 11.3034 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 5.32183 7.20293 6.45373 6.12476 6.81195 11.3034 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.70193 9.84652 11.7709 9.47316 8.54425 12.4575 numMergedOcc 0
25 mol 254 unq 0 iso 0 dist 6.03988 9.66641 5.91806 6.19835 6.59989 5.6417 numMergedOcc 0
26 mol 254 unq 1 iso 0 dist 6.03988 9.26575 5.04088 6.19835 6.59989 7.42831 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 6.75716 8.84523 10.2399 13.0091 9.48951 16.7598 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 6.75716 6.95241 3.9539 13.0091 9.48951 13.4298 numMergedOcc 0
29 mol 286 unq 0 iso 0 dist 8.81794 7.31896 8.0943 3.74137 6.44288 8.75926 numMergedOcc 0
30 mol 286 unq 1 iso 0 dist 8.81794 7.31896 8.0943 6.00883 9.02164 12.1426 numMergedOcc 0
