0 mol 20 unq 0 iso 0 dist 6.29581 5.99677 5.21143 14.473 9.20198 12.502 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 5.21143 5.99677 6.29581 12.502 9.20198 14.473 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.29581 5.99677 5.21143 3.78339 7.51452 6.18887 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 5.21143 5.99677 6.29581 6.18887 7.51452 3.78339 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 8.39179 5.99677 5.75338 3.78339 6.03547 6.18887 numMergedOcc 0
5 mol 20 unq 2 iso 1 dist 5.75338 5.99677 8.39179 6.18887 6.03547 3.78339 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.69142 15.4279 8.43523 7.89671 6.46104 14.4644 numMergedOcc 0
7 mol 26 unq 0 iso 1 dist 8.43523 15.4279 8.69142 14.4644 6.46104 7.89671 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.69142 15.4279 8.43523 11.9181 7.36856 10.4441 numMergedOcc 0
9 mol 26 unq 1 iso 1 dist 8.43523 15.4279 8.69142 10.4441 7.36856 11.9181 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.21813 12.706 7.89276 5.90686 6.7117 12.4645 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 7.89276 12.706 5.21813 12.4645 6.7117 5.90686 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.21813 12.706 7.89276 9.41666 4.47349 4.89219 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 7.89276 12.706 5.21813 4.89219 4.47349 9.41666 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.21813 12.706 7.89276 9.57791 5.65185 3.91112 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 7.89276 12.706 5.21813 3.91112 5.65185 9.57791 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.35647 7.12648 4.88366 6.73179 9.72053 8.77629 numMergedOcc 0
17 mol 130 unq 0 iso 1 dist 4.88366 7.12648 7.35647 8.77629 9.72053 6.73179 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 7.35647 7.12648 4.88366 12.7556 7.7949 6.51295 numMergedOcc 0
19 mol 130 unq 1 iso 1 dist 4.88366 7.12648 7.35647 6.51295 7.7949 12.7556 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.85849 11.0847 6.08299 9.30817 7.69991 6.16353 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 6.08299 11.0847 7.85849 6.16353 7.69991 9.30817 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.85849 11.0847 6.08299 10.879 6.23142 7.07625 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 6.08299 11.0847 7.85849 7.07625 6.23142 10.879 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.85849 11.0847 6.08299 16.7911 9.94764 10.4858 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 6.08299 11.0847 7.85849 10.4858 9.94764 16.7911 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 5.95344 5.62327 7.8687 5.52034 5.62052 9.8231 numMergedOcc 0
27 mol 135 unq 0 iso 1 dist 7.8687 5.62327 5.95344 9.8231 5.62052 5.52034 numMergedOcc 0
28 mol 135 unq 1 iso 0 dist 5.95344 5.62327 7.8687 9.8859 7.85645 10.955 numMergedOcc 0
29 mol 135 unq 1 iso 1 dist 7.8687 5.62327 5.95344 10.955 7.85645 9.8859 numMergedOcc 0
30 mol 146 unq 0 iso 0 dist 6.4477 6.2175 7.92203 5.1208 8.84535 9.57404 numMergedOcc 0
31 mol 146 unq 0 iso 1 dist 7.92203 6.2175 6.4477 9.57404 8.84535 5.1208 numMergedOcc 0
32 mol 146 unq 1 iso 0 dist 6.4477 6.2175 7.92203 8.91039 8.82188 5.03943 numMergedOcc 0
33 mol 146 unq 1 iso 1 dist 7.92203 6.2175 6.4477 5.03943 8.82188 8.91039 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.01017 14.514 9.54437 10.5409 6.46704 8.70038 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 9.54437 14.514 9.01017 8.70038 6.46704 10.5409 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.19189 10.9361 8.34668 6.13422 7.76163 10.2733 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 8.34668 10.9361 6.19189 10.2733 7.76163 6.13422 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 6.19189 10.9361 8.34668 9.40374 8.73217 12.4751 numMergedOcc 0
39 mol 186 unq 1 iso 1 dist 8.34668 10.9361 6.19189 12.4751 8.73217 9.40374 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 9.75046 11.2419 6.73371 7.74458 6.34616 5.21925 numMergedOcc 0
41 mol 198 unq 0 iso 1 dist 6.73371 11.2419 9.75046 5.21925 6.34616 7.74458 numMergedOcc 0
