0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 12.1991 14.7759 9.68596 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 9.78197 5.30082 6.93532 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 11.0283 4.64838 6.41575 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 11.0283 4.64838 6.41423 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 13.1713 6.66749 9.41441 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.44473 11.2947 6.65721 18.6888 13.5488 9.25641 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.75668 7.26966 9.67592 5.94373 6.21578 9.97159 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 20.477 11.4997 9.81166 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 6.96759 13.8905 7.79912 18.043 11.4997 9.81166 numMergedOcc 0
9 mol 75 unq 2 iso 0 dist 6.97318 11.2774 7.79912 17.0121 11.4997 9.81166 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 20.6196 11.4333 9.49454 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.689 5.71475 7.17106 11.1456 10.6848 7.10378 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 19.0265 11.2312 7.38135 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 6.52844 4.55551 6.28565 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 8.59695 6.13737 5.83384 9.47532 10.5488 7.58957 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 6.42706 5.12351 5.83384 9.51709 4.55551 6.28565 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 6.42706 5.12351 5.83384 11.1555 10.5488 7.58957 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.47554 5.34829 7.11802 10.1132 16.0138 9.22232 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.47554 5.34829 7.11802 10.7163 5.92062 9.22661 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 9.47554 5.34829 7.11802 12.2027 6.61891 7.56378 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 11.6726 5.71679 7.69991 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.6726 5.71679 6.23142 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 11.0888 4.57832 6.23142 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 11.0888 4.57832 9.94764 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 11.0888 5.29786 6.23142 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 11.0888 5.29786 9.94764 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 13.6518 13.0123 9.67741 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 12.2628 7.77758 5.94469 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.44947 10.2677 8.51516 7.59757 5.86489 7.32294 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 8.52924 11.993 7.26832 15.0233 10.3603 5.44002 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 8.76465 12.4957 6.03688 numMergedOcc 0
31 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 8.76128 6.552 6.85935 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 10.6444 7.11498 6.59716 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 13.8669 6.35849 7.43071 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 14.0842 10.9607 5.41321 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 8.27093 10.9533 7.09863 13.8669 6.35849 6.02296 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 13.8669 10.204 7.43071 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 14.0842 9.72615 5.41321 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 9.78611 9.775 7.55216 12.4438 9.32448 7.43071 numMergedOcc 0
39 mol 227 unq 6 iso 0 dist 9.78611 9.775 7.55216 11.8295 6.48027 5.41321 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 15.6369 14.7883 9.24557 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 8.99878 10.0842 9.01021 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 8.23381 7.48984 6.97229 13.299 6.7919 7.6595 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 9.04358 8.81588 6.60405 13.3737 5.63675 7.21311 numMergedOcc 0
