0 mol 1 unq 0 iso 0 dist 9.19543 7.68779 6.13271 6.24156 12.1117 12.7243 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.19543 7.68779 6.13271 9.92098 4.75683 7.4966 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 8.79013 6.62201 8.10227 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 5.85008 8.05598 6.26111 6.02824 6.41221 4.24251 numMergedOcc 0
4 mol 36 unq 1 iso 0 dist 9.54644 7.34019 6.26111 6.1084 6.41221 4.24251 numMergedOcc 0
5 mol 36 unq 2 iso 0 dist 9.54644 8.43828 14.9059 6.1084 6.41221 9.98403 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 6.86391 5.02755 6.16718 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 6.47185 9.31319 4.71369 9.72136 13.7886 13.1434 numMergedOcc 0
8 mol 46 unq 1 iso 0 dist 6.47185 9.31319 4.71369 4.61355 8.70524 10.9054 numMergedOcc 0
9 mol 46 unq 2 iso 0 dist 6.47185 8.2513 5.80658 9.72136 13.7886 14.5035 numMergedOcc 0
10 mol 46 unq 3 iso 0 dist 6.47185 8.2513 5.80658 4.61355 8.70524 12.3186 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 8.61203 6.27528 6.77896 6.22498 4.13643 5.10993 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 9.48877 9.51842 13.3199 6.00509 4.72096 10.4274 numMergedOcc 0
13 mol 89 unq 1 iso 0 dist 9.48877 8.25651 10.5017 6.00509 4.72096 6.13636 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 9.66944 5.94478 9.57454 9.43076 4.3208 6.80028 numMergedOcc 0
15 mol 110 unq 0 iso 0 dist 8.74224 6.59361 4.65767 8.27843 5.35918 8.4494 numMergedOcc 0
16 mol 110 unq 1 iso 0 dist 5.33139 6.59361 5.33778 8.27843 4.10689 8.4494 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 9.00703 7.43775 7.00151 5.42764 4.58216 4.0204 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 9.00703 8.09594 6.52272 5.42764 4.58216 3.90443 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 9.69767 16.0066 9.19101 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 5.79795 6.01118 6.96904 8.74572 3.93042 10.8974 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 5.79795 6.01118 6.96904 8.62441 3.95924 8.44333 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 8.45614 4.66231 4.88992 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 7.23874 6.31492 8.09718 8.45614 9.47983 4.88992 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 9.66622 6.64506 9.06228 8.58805 6.36748 6.29158 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 5.08722 9.40939 6.62289 7.31478 6.49084 11.7829 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 5.08722 9.06306 5.69131 7.31478 6.49084 4.72944 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 5.92364 3.85734 6.04002 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 6.43416 6.22077 9.70376 5.92364 3.85734 6.45316 numMergedOcc 0
29 mol 218 unq 2 iso 0 dist 9.24248 8.74123 5.3777 6.112 9.15328 6.28653 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.07221 7.70229 12.878 9.07173 10.3404 8.58259 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 8.07221 7.90792 12.8251 9.07173 10.3404 5.29852 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 6.81636 9.22576 9.91979 7.74312 8.93497 4.13216 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 6.81636 9.22576 9.91979 7.74312 8.93497 4.13216 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 6.81636 9.22576 9.91979 7.74312 8.93497 4.13216 numMergedOcc 0
