0 mol 6 unq 0 iso 0 dist 4.81943 7.12528 6.18784 14.0125 12.9269 9.0451 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.59131 6.07514 9.90656 6.14301 12.7586 4.47883 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.25641 7.61923 14.0111 5.12876 12.9139 5.11941 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.25641 7.61923 14.0111 6.85995 15.8359 5.84744 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 9.25641 7.61923 14.0111 10.0258 17.824 7.7864 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.14996 7.57749 5.91159 14.9502 9.47718 8.55202 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 9.47718 8.55202 5.91159 14.9502 9.14996 7.57749 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.53794 7.32064 16.4946 3.93133 12.389 4.62314 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.53794 5.24136 14.0662 3.93133 12.389 4.41745 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 9.53794 5.85007 13.583 3.93133 12.389 6.35234 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 9.84346 7.32064 13.8703 3.93133 9.46472 4.62314 numMergedOcc 0
11 mol 78 unq 4 iso 0 dist 9.84346 5.24136 13.4395 3.93133 9.46472 4.41745 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 9.84346 5.85007 11.9719 3.93133 9.46472 6.35234 numMergedOcc 0
13 mol 78 unq 6 iso 0 dist 9.46472 4.62314 13.8703 3.93133 9.84346 7.32064 numMergedOcc 0
14 mol 78 unq 7 iso 0 dist 9.46472 4.41745 13.4395 3.93133 9.84346 5.24136 numMergedOcc 0
15 mol 78 unq 8 iso 0 dist 9.46472 6.35234 11.9719 3.93133 9.84346 5.85007 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 11.0841 13.9688 7.2672 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.0455 8.09774 9.05571 10.4144 14.5797 6.53559 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 9.83308 6.27683 7.0638 11.0771 13.7475 7.1757 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 8.97159 6.27683 13.7432 11.0771 19.8655 7.1757 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.99496 9.99149 6.04066 3.94159 10.6944 9.49163 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.31651 9.49163 8.51677 3.94159 11.6816 9.99149 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 7.74693 7.1229 10.7478 10.3006 16.9685 9.55705 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.82564 7.13727 3.68226 5.00891 9.51177 8.56975 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.51177 8.56975 3.68226 5.00891 7.82564 7.13727 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.91136 7.13727 5.17124 5.00891 12.9888 8.56975 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 8.67304 9.01651 7.1875 8.42221 13.8661 8.83903 numMergedOcc 0
