0 mol 17 unq 0 iso 0 dist 6.76604 7.30541 6.48378 7.18716 4.0384 9.78953 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.97806 8.10063 9.46319 7.63824 7.33787 11.4519 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.32779 8.10063 6.22149 7.63824 5.43498 11.4519 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.38139 9.66461 8.5248 6.77802 5.7037 5.29743 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.12277 8.24934 10.1436 6.58179 5.32648 6.20434 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.22609 7.10403 9.02438 9.56838 13.469 4.44607 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.52742 6.27877 4.75717 8.15861 7.14242 6.90443 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.52742 6.27877 4.75717 9.27814 15.6495 12.641 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.42914 8.01351 10.1359 7.09177 6.21311 12.7678 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 8.42914 8.98201 12.3884 7.09177 6.21311 6.3531 numMergedOcc 0
10 mol 91 unq 2 iso 0 dist 8.42914 6.4026 8.18224 7.09177 6.21311 3.99798 numMergedOcc 0
11 mol 91 unq 3 iso 0 dist 8.17327 8.01351 11.3866 7.09177 7.17072 12.7678 numMergedOcc 0
12 mol 91 unq 4 iso 0 dist 8.17327 8.98201 12.7683 7.09177 7.17072 6.3531 numMergedOcc 0
13 mol 91 unq 5 iso 0 dist 8.17327 6.4026 9.97979 7.09177 7.17072 3.99798 numMergedOcc 0
14 mol 91 unq 6 iso 0 dist 9.52936 8.01351 9.36488 7.09177 10.0233 12.7678 numMergedOcc 0
15 mol 91 unq 7 iso 0 dist 9.52936 8.98201 15.773 7.09177 10.0233 6.3531 numMergedOcc 0
16 mol 91 unq 8 iso 0 dist 9.52936 6.4026 11.8427 7.09177 10.0233 3.99798 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 9.00874 6.67776 6.11046 8.23294 8.70619 4.90515 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 9.00874 6.67776 6.11046 8.2702 3.89959 5.08254 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 6.4081 9.18095 5.43823 9.98215 5.47525 6.85215 numMergedOcc 0
20 mol 104 unq 0 iso 0 dist 9.71834 9.0159 15.4887 9.58427 4.07581 14.4668 numMergedOcc 0
21 mol 104 unq 1 iso 0 dist 9.71834 5.46461 7.70689 9.58427 4.07581 6.09375 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 9.45085 7.39303 10.4606 6.40989 5.26338 5.21343 numMergedOcc 0
23 mol 111 unq 0 iso 0 dist 5.68841 9.01608 5.67604 8.51084 3.83194 8.4163 numMergedOcc 0
24 mol 111 unq 1 iso 0 dist 5.68841 9.01608 5.67604 5.53271 5.56913 7.9342 numMergedOcc 0
25 mol 124 unq 0 iso 0 dist 7.24083 8.40121 11.2378 9.01881 11.7364 9.14816 numMergedOcc 0
26 mol 124 unq 1 iso 0 dist 7.24083 9.09998 9.0109 9.01881 11.7364 14.1773 numMergedOcc 0
27 mol 151 unq 0 iso 0 dist 8.1034 8.15628 6.50161 5.91643 5.81096 4.5975 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.06541 6.97502 8.75176 8.09863 7.73968 6.40044 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 6.28379 6.50096 7.15553 6.45095 5.74821 5.02086 numMergedOcc 0
30 mol 233 unq 1 iso 0 dist 9.29279 6.50096 10.2283 6.45095 11.8995 5.02086 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 9.74822 9.16563 5.96063 7.17276 9.8348 5.01922 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 8.63523 9.23009 10.2133 8.65363 14.0395 8.9978 numMergedOcc 0
33 mol 294 unq 1 iso 0 dist 8.63523 9.23009 10.2133 6.44588 9.96893 5.13965 numMergedOcc 0
