0 mol 61 unq 0 iso 0 dist 9.532 15.0033 9.99643 7.20068 6.72123 8.2572 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.02255 6.67738 6.05043 5.2048 7.27724 6.40193 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 7.89797 5.79921 6.05043 4.98369 7.27724 6.40193 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 5.94669 6.48966 5.09114 5.89212 8.37808 6.01457 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 9.20372 8.2902 6.38977 4.88092 8.40312 6.82985 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.54009 14.516 9.0339 4.98777 7.7059 15.9368 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 6.94119 12.1966 8.50904 12.4052 9.0018 8.09861 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 6.94119 12.1966 8.50904 6.11854 7.652 10.1323 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 9.92736 7.22269 6.31492 14.6185 9.31746 7.48422 numMergedOcc 0
9 mol 182 unq 1 iso 0 dist 9.92736 17.0133 7.8621 14.6185 9.31746 6.98787 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.40983 12.2642 7.36642 8.48013 6.03031 4.87114 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.40983 12.2642 7.36642 9.6739 7.26832 9.43922 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 6.40983 12.2642 7.36642 11.3983 7.80463 6.98312 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 7.08106 6.82955 7.19917 5.42209 6.18308 9.55205 numMergedOcc 0
14 mol 231 unq 0 iso 0 dist 6.52115 5.70196 8.17766 12.4148 7.37839 11.3675 numMergedOcc 0
15 mol 231 unq 1 iso 0 dist 6.52115 5.70196 8.17766 14.0894 8.40182 12.5238 numMergedOcc 0
16 mol 231 unq 2 iso 0 dist 6.52115 4.90955 9.84965 12.4148 7.37839 14.0116 numMergedOcc 0
17 mol 231 unq 3 iso 0 dist 6.52115 4.90955 9.84965 14.0894 8.40182 16.7305 numMergedOcc 0
18 mol 231 unq 4 iso 0 dist 9.88437 10.0579 8.17766 5.20569 7.37839 11.3675 numMergedOcc 0
19 mol 231 unq 5 iso 0 dist 9.88437 10.0579 8.17766 8.35245 8.40182 12.5238 numMergedOcc 0
20 mol 231 unq 6 iso 0 dist 9.88437 12.5997 9.84965 5.20569 7.37839 14.0116 numMergedOcc 0
21 mol 231 unq 7 iso 0 dist 9.88437 12.5997 9.84965 8.35245 8.40182 16.7305 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 7.84754 11.2513 5.76077 14.7198 9.02271 9.0081 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 7.84754 12.6702 7.0247 14.7198 9.02271 10.9027 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 6.71362 9.33433 5.76077 9.60213 9.02271 9.0081 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 6.71362 11.5994 7.0247 9.60213 9.02271 10.9027 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.07855 5.10822 9.47382 15.5856 7.46176 13.8605 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 7.27446 9.24472 4.96568 8.07916 8.4218 5.25115 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 9.32985 15.2382 7.22438 7.59176 8.33638 10.3544 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 5.50002 8.38484 7.66615 10.4754 9.97651 11.4664 numMergedOcc 0
30 mol 272 unq 2 iso 0 dist 5.50002 8.38484 7.66615 12.6468 8.46116 10.3544 numMergedOcc 0
