0 mol 38 unq 0 iso 0 dist 6.12374 5.39032 4.74069 6.12182 7.26639 7.46414 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 6.89527 10.3712 6.44825 6.27668 8.3733 11 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.18572 5.2446 8.12959 13.7055 8.13108 13.0619 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.25047 7.13692 6.14248 6.4988 8.23026 5.82267 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.25047 8.29882 6.97936 6.4988 8.23026 12.6179 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 8.25047 9.77859 5.00466 6.4988 8.23026 7.88072 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 5.82551 5.43823 5.99965 9.34745 9.11586 6.36989 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.63284 9.79578 6.84952 4.70157 7.02507 5.82029 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.4375 9.72618 9.31543 5.57978 6.69691 4.80675 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 8.62413 9.72618 8.85652 5.57978 5.51197 4.80675 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 8.15661 5.0997 6.16832 5.74363 9.35274 5.04898 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 7.9002 12.9829 8.94981 10.0712 8.1945 17.0867 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 7.9002 12.9829 8.94981 6.7444 6.50998 6.89798 numMergedOcc 0
13 mol 251 unq 0 iso 0 dist 7.96982 7.09253 5.62261 4.34197 7.39775 6.33949 numMergedOcc 0
14 mol 251 unq 1 iso 0 dist 8.99048 11.8816 8.07576 6.30024 9.82601 9.52592 numMergedOcc 0
15 mol 251 unq 2 iso 0 dist 8.99048 11.8816 8.07576 4.34197 6.50357 7.54315 numMergedOcc 0
16 mol 251 unq 3 iso 0 dist 8.99048 7.09253 6.17824 6.30024 9.82601 5.99541 numMergedOcc 0
17 mol 251 unq 4 iso 0 dist 8.99048 7.09253 6.17824 4.34197 6.50357 6.33949 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 7.05843 6.97379 6.95569 6.95085 6.31969 11.0966 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.65996 9.17894 7.32002 6.39438 9.74118 10.9431 numMergedOcc 0
