0 mol 68 unq 0 iso 0 dist 8.5213 4.6006 8.34115 11.2365 15.92 7.89424 numMergedOcc 0
1 mol 101 unq 0 iso 0 dist 6.67863 6.01775 7.33426 5.22543 6.2696 8.65215 numMergedOcc 0
2 mol 101 unq 1 iso 0 dist 6.67863 6.01775 7.33426 9.96707 10.1773 9.65097 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 8.94636 6.87376 8.95465 10.0053 4.62865 6.5087 numMergedOcc 0
4 mol 154 unq 0 iso 0 dist 6.12278 3.82471 8.76245 6.23399 10.3287 6.36439 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.97414 4.65845 5.64732 11.209 3.42733 8.41715 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 8.97414 4.65845 5.64732 12.2644 6.57536 7.79893 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 8.00063 4.65845 5.80055 11.209 11.8148 8.41715 numMergedOcc 0
8 mol 168 unq 3 iso 0 dist 8.00063 4.65845 5.80055 12.2644 10.612 7.79893 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 7.06555 4.78402 8.65769 6.07091 10.0225 7.73971 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 8.51811 14.7871 9.40138 7.30954 5.02061 8.02366 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 8.51811 14.7871 9.40138 16.1477 11.5623 8.93118 numMergedOcc 0
12 mol 244 unq 0 iso 0 dist 5.16859 8.49995 9.07512 7.65388 9.54706 9.21656 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.60767 7.45428 6.90511 12.8506 4.02333 8.23381 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 8.72101 13.3688 9.07744 14.3441 7.75371 4.81916 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 5.11998 12.5633 9.07744 9.29635 7.75371 4.81916 numMergedOcc 0
