0 mol 26 unq 0 iso 0 dist 6.25761 9.15677 4.52042 13.6936 8.65828 9.80897 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.12845 8.54284 16.7349 4.66466 6.11574 12.8069 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.34695 7.51978 5.65405 9.34149 6.29755 9.89662 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.34695 7.51978 5.65405 13.5048 7.4038 11.7963 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.78965 8.89514 4.77072 11.0394 6.86861 9.6629 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 7.45116 9.51842 9.70567 9.072 9.1784 9.6629 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 7.45116 8.25651 11.5709 9.072 9.1784 15.9413 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 9.34944 8.14907 4.97552 6.14629 9.06599 8.57712 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.50055 6.96824 10.4974 10.8987 9.58817 13.1917 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.50055 9.25528 5.65167 10.8987 9.58817 15.1168 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 5.06235 8.74123 11.2247 10.5955 9.11823 17.8036 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.16671 7.2527 4.99401 10.2577 9.01742 13.3195 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.16671 7.13194 9.99053 10.2577 9.01742 10.5485 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 5.42362 9.29203 4.99401 4.44329 9.01742 13.3195 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 5.42362 7.62771 5.07768 4.44329 9.01742 11.9194 numMergedOcc 0
15 mol 238 unq 4 iso 0 dist 5.42362 7.80166 9.99053 4.44329 9.01742 10.5485 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 5.42327 6.7283 6.00583 8.80713 4.91772 10.7188 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 7.81701 8.74201 6.00521 5.1491 8.30313 11.4098 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 7.81701 8.74201 6.00521 5.13 6.51248 10.4378 numMergedOcc 0
19 mol 282 unq 2 iso 0 dist 9.46797 6.65024 6.00521 9.68952 8.30313 11.4098 numMergedOcc 0
20 mol 282 unq 3 iso 0 dist 9.46797 6.65024 6.00521 9.51582 6.51248 10.4378 numMergedOcc 0
