0 mol 43 unq 0 iso 0 dist 9.74445 8.75469 8.03754 12.8035 9.83618 10.1053 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.62468 12.9303 8.44473 6.91052 8.76003 10.8911 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 5.92705 13.2942 8.44473 7.34319 8.76003 10.8911 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.6003 7.05519 9.64871 5.29079 9.80142 10.2974 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.6003 7.05519 9.64871 5.78769 9.54144 4.97497 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.0614 9.59932 8.0139 12.5495 7.87814 13.7384 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.93572 10.5863 9.11235 5.36419 7.27371 6.57826 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.18866 9.20914 9.88662 12.8257 8.33261 10.9183 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.10619 7.53439 8.41774 10.5988 9.13561 10.8622 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.03194 13.0853 8.02366 9.17004 8.61331 16.4277 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 11.6559 8.96511 6.70227 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 13.4309 6.97182 4.40728 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 8.49704 17.1631 9.92165 13.5787 6.1175 5.75872 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.31105 10.1832 5.39218 12.3402 6.84247 9.46015 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.31105 10.1832 5.39218 7.84277 6.99002 4.51612 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.56437 11.5364 7.49783 11.7838 7.06793 4.76056 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 6.56437 11.5364 7.49783 10.4999 6.67585 10.7068 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 6.23882 6.88745 7.49783 9.57742 7.06793 4.76056 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 6.23882 6.88745 7.49783 12.0368 6.67585 10.7068 numMergedOcc 0
19 mol 224 unq 4 iso 0 dist 9.53131 12.1666 7.49783 8.30442 7.06793 4.76056 numMergedOcc 0
20 mol 224 unq 5 iso 0 dist 9.53131 12.1666 7.49783 4.63666 6.67585 10.7068 numMergedOcc 0
21 mol 224 unq 6 iso 0 dist 9.34636 9.9943 7.49783 5.46434 7.06793 4.76056 numMergedOcc 0
22 mol 224 unq 7 iso 0 dist 9.34636 9.9943 7.49783 5.03449 6.67585 10.7068 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 7.29898 10.254 6.26142 4.16447 8.83735 10.0505 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 8.91685 8.81984 6.26142 6.74838 8.83735 10.0505 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.90381 7.53628 6.11671 10.8128 7.50578 3.83813 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 9.14131 9.41725 6.20663 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 5.67266 8.78407 7.71088 5.41716 8.8673 6.7858 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 5.80981 5.33059 7.71088 5.37323 8.8673 6.7858 numMergedOcc 0
29 mol 282 unq 2 iso 0 dist 9.63346 9.73996 7.71088 14.5422 8.8673 6.7858 numMergedOcc 0
