0 mol 51 unq 0 iso 0 dist 8.3388 9.37125 8.3248 5.49645 11.0948 9.0709 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 7.98396 7.00844 4.72836 4.99741 8.46609 6.65595 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 7.98396 7.00844 4.72836 5.54608 12.0878 8.90863 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.22998 6.97123 8.19638 7.20068 11.2566 6.65721 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 8.22998 9.532 7.43426 7.20068 11.2566 6.72123 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.83258 9.90769 15.1609 11.0096 18.3012 7.88289 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.83258 9.90769 15.1609 10.3117 14.8139 9.01083 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 7.83258 9.02255 11.9095 5.2048 11.7888 7.27724 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.02545 9.09856 7.98559 7.87833 13.2148 9.28393 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.20262 6.70271 8.76089 10.8963 8.94909 7.11802 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.20262 6.2109 6.80087 11.6923 12.8006 6.29155 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.20262 6.2109 6.80087 12.4997 9.73536 6.80239 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 6.20262 6.2109 6.80087 10.8963 8.94909 8.00618 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 9.44606 8.58834 14.7892 4.99603 11.3988 8.49164 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 6.788 6.94119 8.60204 12.4052 14.9052 9.0018 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 6.788 6.94119 8.60204 6.11854 10.2595 7.652 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 9.74402 9.92736 4.61382 14.6185 13.3393 9.31746 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 8.81553 9.92736 8.09718 14.6185 12.494 9.31746 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 7.30045 7.9828 5.48552 7.97488 5.29682 8.53687 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 7.30045 8.73296 9.55719 6.69309 6.20344 9.18903 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 6.6013 7.27446 4.75685 8.07916 6.78702 8.4218 numMergedOcc 0
21 mol 265 unq 1 iso 0 dist 7.85422 7.27446 11.5105 8.07916 8.59825 8.4218 numMergedOcc 0
