0 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 7.64353 4.51865 5.80928 11.0283 4.64838 6.41575 6.41423 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 13.3276 8.4674 5.80928 11.0283 4.64838 6.41423 6.41575 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.44473 11.2947 6.65721 4.78811 6.72123 6.86346 18.6888 13.5488 9.25641 14.4663 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 12.103 8.56639 5.64643 20.477 11.4997 9.81166 14.6043 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 9.20448 14.2474 7.79912 5.76778 8.59017 10.4899 20.477 11.4997 9.81166 18.7078 numMergedOcc 0
5 mol 75 unq 2 iso 0 dist 6.96759 13.8905 7.79912 12.899 8.56639 5.64643 18.043 11.4997 9.81166 14.6043 numMergedOcc 0
6 mol 75 unq 3 iso 0 dist 6.96759 13.8905 7.79912 8.41332 8.59017 10.4899 18.043 11.4997 9.81166 18.7078 numMergedOcc 0
7 mol 75 unq 4 iso 0 dist 6.97318 11.2774 7.79912 11.0206 8.56639 5.64643 17.0121 11.4997 9.81166 14.6043 numMergedOcc 0
8 mol 75 unq 5 iso 0 dist 6.97318 11.2774 7.79912 6.56982 8.59017 10.4899 17.0121 11.4997 9.81166 18.7078 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 20.6196 11.4333 9.49454 12.1092 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.689 5.71475 7.17106 14.9329 9.60661 11.5403 11.1456 10.6848 7.10378 14.8081 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 10.3954 9.35224 8.87654 11.1456 10.6848 7.10378 15.2289 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 19.0265 11.2312 7.38135 15.4031 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 19.0265 11.2312 7.38135 17.2419 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 19.0265 11.2312 7.38135 19.8941 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.47554 5.34829 7.11802 9.67676 8.00618 8.18495 10.1132 16.0138 9.22232 12.7901 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.47554 5.34829 7.11802 9.67676 8.00618 8.18495 10.7163 5.92062 9.22661 13.5028 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 9.47554 5.34829 7.11802 9.67676 8.00618 8.18495 12.2027 6.61891 7.56378 11.8433 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.65283 6.49416 5.00526 11.6726 5.71679 7.69991 6.23142 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 11.6726 5.71679 6.23142 7.69991 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 11.0888 4.57832 6.23142 9.94764 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 11.0888 4.57832 9.94764 6.23142 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 11.0888 5.29786 6.23142 9.94764 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 11.0888 5.29786 9.94764 6.23142 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 9.44947 10.2677 8.51516 10.5243 7.10633 10.8344 7.59757 5.86489 7.32294 11.5776 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.52924 11.993 7.26832 7.17157 6.03031 7.38516 15.0233 10.3603 5.44002 12.3113 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 9.67882 7.80463 13.8543 15.0233 10.3603 5.44002 17.9798 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 11.4842 8.24498 10.5449 10.6444 7.11498 6.59716 13.1498 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 13.8669 6.35849 7.43071 6.02296 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 14.0842 10.9607 5.41321 9.74265 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 8.27093 10.9533 7.09863 10.9396 7.22101 4.39704 13.8669 6.35849 6.02296 7.43071 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.04358 8.81588 6.60405 5.90131 6.42289 7.26417 13.3737 5.63675 7.21311 11.2102 numMergedOcc 0
