0 mol 5 unq 0 iso 0 dist 8.06353 9.81516 6.60026 7.73592 9.4914 8.62417 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.06274 6.85224 4.6621 7.93403 11.8326 10.2902 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.06274 8.04657 11.5288 7.93403 11.8326 5.22924 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.54392 8.28062 13.7357 7.02425 8.37361 6.07243 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.54392 6.90201 6.37795 7.02425 8.37361 6.02963 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.63893 9.35279 6.64001 8.77215 6.23263 10.8586 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.86152 5.49836 5.80606 8.03795 11.2466 11.0969 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 8.07668 6.58984 9.79171 7.30209 9.52742 3.89036 numMergedOcc 0
8 mol 157 unq 1 iso 0 dist 7.96098 6.58984 11.3794 7.30209 13.2115 3.89036 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 8.51679 8.20406 12.0942 6.92359 8.17835 5.04147 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 8.82789 7.03303 9.23265 9.40866 3.36092 11.8455 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 8.82789 7.03303 9.23265 5.27971 5.47078 4.88147 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 5.09456 7.03303 7.86006 9.40866 7.014 11.8455 numMergedOcc 0
13 mol 171 unq 3 iso 0 dist 5.09456 7.03303 7.86006 5.27971 3.4213 4.88147 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.95081 6.85567 3.88767 9.50048 9.65133 12.0117 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 8.9427 7.34165 6.07592 6.22884 4.27883 6.20656 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 8.9427 7.34165 6.07592 8.69671 17.148 13.5662 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 8.9427 7.34165 6.07592 7.67041 10.5518 11.4275 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 8.9427 6.61951 12.139 6.22884 4.27883 8.30499 numMergedOcc 0
19 mol 244 unq 4 iso 0 dist 8.9427 6.61951 12.139 8.69671 17.148 10.3324 numMergedOcc 0
20 mol 244 unq 5 iso 0 dist 8.9427 6.61951 12.139 7.67041 10.5518 4.07316 numMergedOcc 0
