0 mol 12 unq 0 iso 0 dist 9.42122 5.76006 7.24704 9.77151 12.1743 9.86138 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.59181 8.36361 6.71705 12.1487 14.5492 9.49518 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 7.77714 5.24524 10.6687 11.6256 6.46118 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.12277 6.71884 7.01781 15.4294 13.1875 9.25575 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 9.81705 6.29966 5.53449 9.36195 6.32309 9.31725 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 9.81705 6.29966 5.53449 7.73752 8.60437 9.57358 numMergedOcc 0
6 mol 108 unq 2 iso 0 dist 9.81705 6.29966 5.53449 5.73135 10.3141 5.38329 numMergedOcc 0
7 mol 108 unq 3 iso 0 dist 6.32309 9.31725 5.53449 9.36195 9.81705 6.29966 numMergedOcc 0
8 mol 108 unq 4 iso 0 dist 6.32309 9.31725 5.53449 4.32759 8.60437 9.57358 numMergedOcc 0
9 mol 108 unq 5 iso 0 dist 6.32309 9.31725 5.53449 12.5027 10.3141 5.38329 numMergedOcc 0
10 mol 108 unq 6 iso 0 dist 8.60437 9.57358 5.53449 7.73752 9.81705 6.29966 numMergedOcc 0
11 mol 108 unq 7 iso 0 dist 8.60437 9.57358 5.53449 4.32759 6.32309 9.31725 numMergedOcc 0
12 mol 108 unq 8 iso 0 dist 8.60437 9.57358 5.53449 10.7754 10.3141 5.38329 numMergedOcc 0
13 mol 108 unq 9 iso 0 dist 5.8711 5.38329 6.97518 5.73135 10.3972 6.29966 numMergedOcc 0
14 mol 108 unq 10 iso 0 dist 5.8711 5.38329 6.97518 12.5027 13.1299 9.31725 numMergedOcc 0
15 mol 108 unq 11 iso 0 dist 5.8711 5.38329 6.97518 10.7754 11.8354 9.57358 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.1717 7.97262 13.5181 7.00937 15.6057 5.82588 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.1717 7.97262 13.5181 7.37173 16.524 9.90846 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 8.8319 7.97262 9.03534 7.00937 12.8485 5.82588 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 8.8319 7.97262 9.03534 7.37173 15.3199 9.90846 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 6.21825 6.02559 5.74134 10.7245 10.3602 8.12047 numMergedOcc 0
21 mol 176 unq 1 iso 0 dist 8.95504 6.02559 6.43713 10.7245 14.4897 8.12047 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 7.39164 5.34832 7.53305 7.47996 14.4215 8.57284 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 6.28379 9.99681 12.6434 4.36175 8.91643 9.89626 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 9.29279 9.99681 10.3831 4.36175 8.79848 9.89626 numMergedOcc 0
25 mol 233 unq 2 iso 0 dist 8.91643 9.89626 12.6434 4.36175 6.28379 9.99681 numMergedOcc 0
26 mol 233 unq 3 iso 0 dist 8.79848 9.89626 10.3831 4.36175 9.29279 9.99681 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 8.83662 6.07677 5.31424 4.35953 11.9982 7.56605 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.63523 6.6112 4.35029 5.89 11.0917 7.71392 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 8.63523 8.34193 9.73381 5.89 11.0917 5.02677 numMergedOcc 0
30 mol 294 unq 2 iso 0 dist 8.63523 8.35722 14.2745 5.89 11.0917 7.6859 numMergedOcc 0
