0 mol 48 unq 0 iso 0 dist 9.27853 8.98678 7.54318 6.0363 9.46554 7.45459 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 6.9902 16.2567 9.59261 6.41735 4.96613 11.3905 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 6.9902 9.83687 6.67936 6.41735 4.96613 4.67519 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 6.9902 12.0258 8.25817 6.41735 4.96613 10.4027 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 8.33541 15.8807 9.59261 11.1359 4.96613 11.3905 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 8.33541 10.6448 6.67936 11.1359 4.96613 4.67519 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 8.33541 5.58126 8.25817 11.1359 4.96613 10.4027 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 5.74521 7.79117 9.93703 4.91693 6.13508 7.45148 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 6.00571 13.0804 8.40046 6.89568 8.70738 12.7065 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.63478 4.28997 9.4473 5.87062 5.80404 5.81428 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.93408 10.0238 9.84695 4.2281 5.08863 7.92503 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 8.93408 10.7949 9.18866 4.2281 5.08863 8.93262 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.41938 10.6678 9.74498 5.04856 9.06844 14.4624 numMergedOcc 0
13 mol 199 unq 0 iso 0 dist 9.97213 6.75963 8.68505 6.25875 9.43695 5.63124 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.09314 6.94835 8.39425 11.5529 9.4707 4.82315 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.03904 7.36035 8.39425 4.19891 9.4707 4.82315 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.05795 4.66984 9.54235 5.13474 7.48445 9.42172 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.38809 9.36045 8.68464 9.38835 6.67239 14.3553 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 7.38809 9.36045 8.68464 4.03628 6.23146 11.776 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.50501 5.81354 8.77254 6.11694 9.85348 8.84434 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.50501 9.80505 9.96976 6.11694 9.85348 10.1697 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 7.19903 10.7361 9.37996 6.61098 5.4347 6.82989 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.43429 10.1263 8.66451 8.99044 9.02661 6.70925 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 9.0062 5.23192 8.71213 10.1535 8.7964 10.4903 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 9.0062 5.23192 8.71213 8.61464 7.24072 11.2696 numMergedOcc 0
25 mol 285 unq 2 iso 0 dist 8.72607 9.00041 8.71213 11.3794 8.7964 10.4903 numMergedOcc 0
26 mol 285 unq 3 iso 0 dist 8.72607 9.00041 8.71213 7.33538 7.24072 11.2696 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.20852 6.05371 6.47832 4.75743 6.1268 5.42688 numMergedOcc 0
