0 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 12.165 9.75636 4.93188 13.8383 12.8389 5.11617 4.90592 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.65191 12.8297 8.70827 12.165 9.75636 4.93188 6.63441 11.6684 10.8238 8.16324 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.65191 7.93303 9.12854 12.165 9.75636 9.24958 13.8383 12.8389 13.2229 4.90592 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.65191 7.93303 9.12854 12.165 9.75636 9.24958 6.63441 11.6684 6.7828 8.16324 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.42925 6.07691 9.6782 8.6578 5.1728 7.52117 6.30672 7.48846 4.55437 7.03307 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.42925 6.07691 9.6782 8.6578 5.1728 7.52117 10.7753 10.3462 6.16231 7.25707 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 13.9148 8.25666 6.77886 17.4177 14.7378 10.0962 6.99108 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.94406 9.94628 5.59328 10.8121 8.53212 5.88354 11.3708 7.14031 4.67519 6.62972 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.94406 7.53156 7.5242 10.8121 8.53212 5.74854 11.3708 7.14031 10.4027 6.62972 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.2337 5.39087 5.59328 11.2452 8.53212 5.88354 7.43547 7.14031 4.67519 6.62972 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.2337 12.2431 7.5242 11.2452 8.53212 5.74854 7.43547 7.14031 10.4027 6.62972 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 11.4006 5.38571 7.86572 14.3045 6.83404 10.1432 4.46777 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.35864 10.4653 9.97343 11.4006 5.38571 7.86572 17.3852 11.8798 9.43674 6.94988 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 12.1898 11.7015 5.38091 5.46268 5.9976 5.81563 7.46845 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.25835 6.71523 6.45896 7.34321 4.56165 8.00506 4.55978 11.3082 9.0783 8.21989 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 11.0156 8.46033 5.60393 19.206 17.31 14.4523 9.17946 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 15.5643 13.8622 7.83711 13.2043 9.8664 4.9377 6.57921 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 6.12347 9.73122 9.09855 7.92537 5.89415 6.43341 8.23428 11.0829 5.58929 9.30921 numMergedOcc 0
