0 mol 26 unq 0 iso 0 dist 9.72597 13.3326 6.74848 5.7075 7.90721 10.0347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.97991 6.81961 9.5053 5.21951 6.38243 4.76998 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.48391 4.92112 6.40693 15.0868 8.05514 10.3533 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.0534 14.9324 7.62738 11.5328 7.69861 13.0054 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.89661 8.64726 7.62611 10.5249 7.8435 14.9656 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 5.89661 8.64726 7.62611 10.3971 5.99269 11.5397 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 5.89661 8.64726 7.62611 8.75661 5.71763 5.43515 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.60416 17.0061 8.43352 15.4506 8.75597 3.94967 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.20629 9.25614 8.8562 9.24957 9.6121 12.8661 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 7.20629 9.25614 8.8562 12.6962 9.57341 5.37917 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 7.20629 5.53673 7.91683 9.24957 9.6121 13.3563 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 7.20629 5.53673 7.91683 12.6962 9.57341 15.7711 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.31118 5.23583 5.94233 10.1006 8.66815 5.50104 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 9.31118 11.0459 8.56219 10.1006 8.66815 7.02562 numMergedOcc 0
14 mol 126 unq 2 iso 0 dist 8.44104 7.25449 5.94233 5.08006 8.66815 5.50104 numMergedOcc 0
15 mol 126 unq 3 iso 0 dist 8.44104 11.2199 8.56219 5.08006 8.66815 7.02562 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.67321 15.6039 9.13191 11.6 8.24966 6.39648 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.67321 8.90781 6.95405 11.6 8.24966 10.3272 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.95533 14.6343 7.25644 15.6865 9.43989 3.88427 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 7.94147 5.93581 7.25644 8.57724 9.43989 3.88427 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 7.27943 5.8155 5.06613 8.3084 6.09987 3.87512 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.31166 9.11826 7.46987 6.3473 8.57801 6.18065 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 7.46207 9.7127 7.8141 14.5951 7.39445 9.96737 numMergedOcc 0
23 mol 193 unq 1 iso 0 dist 7.46207 10.7013 8.43187 14.5951 7.39445 11.3625 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.11989 10.4275 9.08955 11.0888 7.97027 4.67663 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.11989 10.4275 9.08955 5.93092 6.81955 9.32357 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 7.11989 10.4275 9.08955 6.80198 4.9876 6.37382 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 7.11989 9.86636 8.88664 11.0888 7.97027 4.00869 numMergedOcc 0
28 mol 222 unq 4 iso 0 dist 7.11989 9.86636 8.88664 5.93092 6.81955 12.2233 numMergedOcc 0
29 mol 222 unq 5 iso 0 dist 7.11989 9.86636 8.88664 6.80198 4.9876 9.60662 numMergedOcc 0
30 mol 222 unq 6 iso 0 dist 7.11989 5.78833 7.16819 11.0888 7.97027 6.23984 numMergedOcc 0
31 mol 222 unq 7 iso 0 dist 7.11989 5.78833 7.16819 5.93092 6.81955 8.87178 numMergedOcc 0
32 mol 222 unq 8 iso 0 dist 7.11989 5.78833 7.16819 6.80198 4.9876 7.13962 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.2457 6.2709 6.00582 6.24324 8.52295 5.96499 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 7.84195 13.3542 9.30921 5.03747 5.8304 11.0079 numMergedOcc 0
35 mol 279 unq 1 iso 0 dist 7.84195 13.3542 9.30921 14.9354 7.37478 9.53157 numMergedOcc 0
36 mol 279 unq 2 iso 0 dist 9.2174 12.0995 9.30921 9.59972 5.8304 11.0079 numMergedOcc 0
37 mol 279 unq 3 iso 0 dist 9.2174 12.0995 9.30921 6.63427 7.37478 9.53157 numMergedOcc 0
