0 mol 18 unq 0 iso 0 dist 6.09533 8.59424 6.19657 6.47139 9.1397 10.1168 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.23055 8.39416 9.22123 4.56886 4.17838 6.82886 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 8.30746 10.4946 9.22123 5.1219 4.17838 6.82886 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 4.82356 4.58564 6.30568 4.84607 5.78814 7.00572 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.22722 13.9116 9.88156 17.2785 9.72387 16.1459 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 8.52036 4.70999 9.88156 16.4238 9.72387 16.1459 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 8.83476 9.97131 6.30568 11.981 5.78814 7.00572 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.48934 8.34522 7.43587 6.4437 9.3273 5.42993 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.41183 7.89112 7.43587 5.91683 9.3273 5.42993 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 8.76449 12.2185 8.62135 6.91778 6.73617 5.90364 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 6.48066 10.8153 7.93917 6.59758 7.48734 10.3284 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 6.48066 10.8153 7.93917 5.81821 5.6125 5.14202 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.17301 5.17618 6.19329 8.58814 9.70481 5.07895 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 5.50896 7.93856 4.77438 9.42381 9.1139 5.25981 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 6.61322 11.6457 9.33223 9.07364 8.03012 9.45618 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.69951 4.77489 8.75224 8.70769 8.25897 13.3027 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.8898 4.86847 6.80043 5.75478 5.7944 7.8929 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.24013 4.54209 9.48076 10.9928 5.72327 12.7618 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.24013 4.54209 9.48076 10.8591 5.81301 13.8339 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 8.24013 4.54209 9.48076 12.5803 9.81201 16.0093 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 8.24013 15.1499 8.04081 10.9928 5.72327 5.17381 numMergedOcc 0
21 mol 277 unq 4 iso 0 dist 8.24013 15.1499 8.04081 10.8591 5.81301 5.89928 numMergedOcc 0
22 mol 277 unq 5 iso 0 dist 8.24013 15.1499 8.04081 12.5803 9.81201 7.75491 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.1471 9.43452 9.78064 5.25853 9.18744 5.64519 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.1471 9.43452 9.78064 5.25853 9.18744 5.64519 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.1471 9.43452 9.78064 5.25853 9.18744 5.64519 numMergedOcc 0
