0 mol 39 unq 0 iso 0 dist 8.60849 5.35781 9.45639 7.45559 6.82829 7.33969 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.60849 5.35781 9.45639 10.4313 8.83903 7.45237 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 7.42358 5.35781 5.00126 7.45559 6.37567 7.33969 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 7.42358 5.35781 5.00126 10.4313 5.92759 7.45237 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.88013 7.20068 9.70415 12.4083 10.4362 8.76003 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.95427 5.89083 7.63663 11.2627 14.4842 7.92394 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.95427 5.89083 7.63663 13.2482 14.7467 9.93423 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 9.95427 5.89083 7.63663 10.7575 5.93792 9.34122 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.27258 13.9184 8.97043 13.6763 7.266 9.66954 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.27258 13.9184 8.97043 19.5576 11.6637 7.64585 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.2447 5.51897 7.83582 12.1867 14.4791 8.19104 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 9.2447 6.35897 9.68229 10.0815 5.35291 6.95323 numMergedOcc 0
12 mol 140 unq 2 iso 0 dist 8.7432 5.49391 7.83582 10.6563 14.4791 8.19104 numMergedOcc 0
13 mol 140 unq 3 iso 0 dist 8.7432 10.859 9.68229 9.13202 5.35291 6.95323 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.61764 4.9037 6.87299 10.6055 5.16833 8.33261 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.53307 5.74279 8.3705 9.32602 12.124 8.36117 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 8.53307 5.74279 8.3705 6.77884 6.91511 6.77578 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 9.44522 7.29068 7.75394 12.3412 6.06154 7.90031 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 9.44522 7.29068 7.75394 12.1847 4.83589 7.21533 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 9.37419 6.50481 9.68888 12.6073 13.7594 6.15305 numMergedOcc 0
20 mol 240 unq 1 iso 0 dist 9.37419 6.50481 9.68888 10.2479 5.59975 8.0951 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 7.13821 5.97792 5.98967 9.35052 6.25507 5.24676 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.09288 10.9861 8.40766 9.06675 5.70545 6.49982 numMergedOcc 0
