0 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 12.165 9.75636 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.65191 7.93303 9.12854 12.165 9.75636 9.24958 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.42925 6.07691 9.6782 8.6578 5.1728 7.52117 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 13.9148 8.25666 6.77886 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.45801 4.49951 6.02816 9.48095 9.03289 5.16364 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.94406 9.94628 5.59328 10.8121 8.53212 5.88354 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.94406 7.53156 7.5242 10.8121 8.53212 5.74854 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.2337 5.39087 5.59328 11.2452 8.53212 5.88354 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.2337 12.2431 7.5242 11.2452 8.53212 5.74854 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 11.4006 5.38571 7.86572 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 18.8481 15.0801 8.41611 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.75595 11.2897 7.78652 13.4123 11.5146 7.63338 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 5.75595 11.2897 7.78652 14.5171 8.97873 9.03707 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 5.75595 11.2897 7.78652 10.3832 6.60479 7.25673 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 15.48 12.8796 7.73169 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.32227 9.67236 8.61587 12.1898 11.7015 5.38091 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.25835 6.71523 6.45896 7.34321 4.56165 8.00506 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 11.0156 8.46033 5.60393 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 6.64193 4.67731 7.48463 6.82737 6.80048 6.13306 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 18.501 12.8075 8.03442 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 15.5643 13.8622 7.83711 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 12.924 7.85398 6.39158 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.43474 5.0871 7.10685 9.10829 5.83386 5.52379 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.69025 11.8501 7.08526 11.5672 6.31909 8.55558 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 6.12347 9.73122 9.09855 7.92537 5.89415 6.43341 numMergedOcc 0
