0 mol 34 unq 0 iso 0 dist 6.87871 14.5506 7.78892 15.1968 9.99939 9.30664 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 8.75469 8.03754 5.46849 9.02471 3.83842 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.0614 9.59932 8.0139 8.33013 5.25027 4.15002 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.0614 9.59932 8.0139 9.53139 4.37025 9.36535 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 8.33083 13.1171 8.75778 12.2092 4.42563 6.39355 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 6.29026 5.06265 8.00624 6.14663 7.97548 6.61102 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 6.29026 5.06265 8.00624 5.32811 9.64164 9.0678 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.12599 5.34907 6.00727 7.15505 6.09063 5.24671 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.18866 9.20914 9.88662 6.99467 6.73617 10.0388 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.18866 9.20914 9.88662 4.53687 9.03544 9.71714 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.10619 7.53439 8.41774 17.3816 9.00072 15.2106 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 12.4011 4.72821 11.1931 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 14.8213 9.31158 10.5366 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.43584 8.05429 6.23932 14.8213 9.31158 9.27501 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 9.67457 5.02037 6.13878 8.81074 6.85824 6.59517 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 5.81927 5.00751 7.69358 4.87461 7.12221 6.09845 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 5.81927 5.00751 7.69358 9.93118 5.4557 11.3756 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.02749 10.3702 8.88221 12.2201 8.12739 4.66969 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.02749 10.3702 8.88221 12.2802 6.09853 5.69247 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 9.02749 14.5909 9.65027 12.2201 8.12739 12.3693 numMergedOcc 0
20 mol 274 unq 3 iso 0 dist 9.02749 14.5909 9.65027 12.2802 6.09853 6.93195 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 11.5613 4.9764 9.21484 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.90434 5.95045 4.81916 13.0566 6.36559 10.3506 numMergedOcc 0
