0 mol 33 unq 0 iso 0 dist 7.44828 5.2746 9.54828 9.9897 8.74487 14.8637 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.27009 6.0478 12.4017 10.6111 6.04303 15.1251 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.27009 6.0478 12.4017 6.9953 6.12267 12.7723 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.64686 6.07578 6.15669 12.6473 8.61089 12.9634 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.64686 9.56449 13.819 12.6473 8.61089 20.744 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.078 9.7695 12.8915 6.73664 7.66418 14.9164 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 6.11833 5.74652 6.50376 4.40288 7.12201 9.80729 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.3757 7.35503 5.9331 10.5302 9.42014 6.48223 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.42014 6.48223 5.9331 10.5302 9.3757 7.35503 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.2184 8.84146 6.3404 4.76384 9.84762 13.1776 numMergedOcc 0
10 mol 139 unq 0 iso 0 dist 8.78382 9.84729 5.53327 9.781 9.70154 14.5588 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.62514 6.13963 4.07871 8.63339 6.20044 9.42862 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 6.62514 6.13963 4.07871 7.41625 9.41996 10.8464 numMergedOcc 0
13 mol 204 unq 2 iso 0 dist 6.20044 9.42862 4.07871 8.63339 6.62514 6.13963 numMergedOcc 0
14 mol 204 unq 3 iso 0 dist 6.20044 9.42862 4.07871 11.09 9.41996 10.8464 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.82201 6.40445 4.34898 8.94237 5.86911 8.67237 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.86911 8.67237 4.34898 8.94237 7.82201 6.40445 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 5.86911 7.49436 9.85943 8.94237 7.82201 13.015 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.39087 8.31564 8.13432 6.99846 9.86144 14.5312 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 7.70472 8.54245 6.65791 10.9243 8.78924 12.9841 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 9.16988 8.54245 8.93852 10.9243 4.64178 12.9841 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 8.51703 6.46092 5.0005 6.53265 5.07895 7.65382 numMergedOcc 0
22 mol 250 unq 1 iso 0 dist 5.07895 7.65382 5.0005 6.53265 8.51703 6.46092 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 4.85199 6.40153 5.48835 4.70691 6.0437 9.78763 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 4.85199 6.40153 5.48835 6.43452 9.13604 6.20912 numMergedOcc 0
25 mol 261 unq 2 iso 0 dist 9.13604 6.20912 5.48835 9.51335 6.0437 9.78763 numMergedOcc 0
26 mol 261 unq 3 iso 0 dist 9.13604 6.20912 5.48835 6.43452 4.85199 6.40153 numMergedOcc 0
27 mol 261 unq 4 iso 0 dist 9.72159 6.40153 5.20812 6.43452 6.89731 6.20912 numMergedOcc 0
28 mol 261 unq 5 iso 0 dist 6.89731 6.20912 5.20812 6.43452 9.72159 6.40153 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 8.8646 9.98606 16.41 6.70676 7.9555 15.2583 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 5.00258 6.91282 5.63803 4.79603 6.04225 10.1753 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 5.00258 6.91282 5.63803 5.92133 8.22117 5.51953 numMergedOcc 0
32 mol 282 unq 2 iso 0 dist 8.22117 5.51953 5.63803 9.24679 6.04225 10.1753 numMergedOcc 0
33 mol 282 unq 3 iso 0 dist 8.22117 5.51953 5.63803 5.92133 5.00258 6.91282 numMergedOcc 0
34 mol 282 unq 4 iso 0 dist 9.98886 6.91282 5.58058 5.92133 6.81887 5.51953 numMergedOcc 0
35 mol 282 unq 5 iso 0 dist 6.81887 5.51953 5.58058 5.92133 9.98886 6.91282 numMergedOcc 0
36 mol 294 unq 0 iso 0 dist 6.37998 6.16375 4.35814 8.23817 9.77023 9.10492 numMergedOcc 0
