0 mol 7 unq 0 iso 0 dist 9.17764 5.93318 6.02702 9.69326 8.72114 11.8172 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.17764 9.69326 8.72114 5.93318 6.02702 11.8172 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.29581 3.78339 7.51452 14.473 9.20198 16.5895 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 6.29581 14.473 9.20198 3.78339 7.51452 16.5895 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 5.21143 6.18887 7.51452 12.502 9.20198 16.5895 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 5.21143 12.502 9.20198 6.18887 7.51452 16.5895 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.56483 8.23069 8.70827 8.59466 9.12854 12.3067 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.56483 8.59466 9.12854 8.23069 8.70827 12.3067 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.69142 7.89671 6.46104 11.9181 7.36856 7.96502 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 8.69142 11.9181 7.36856 7.89671 6.46104 7.96502 numMergedOcc 0
10 mol 26 unq 1 iso 0 dist 8.43523 14.4644 6.46104 10.4441 7.36856 7.96502 numMergedOcc 0
11 mol 26 unq 1 iso 1 dist 8.43523 10.4441 7.36856 14.4644 6.46104 7.96502 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 9.41666 4.47349 8.40073 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.21813 9.41666 4.47349 5.90686 6.7117 8.40073 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.21813 5.90686 6.7117 9.57791 5.65185 10.2427 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 5.21813 9.57791 5.65185 5.90686 6.7117 10.2427 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.21813 9.41666 4.47349 9.57791 5.65185 5.02887 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 5.21813 9.57791 5.65185 9.41666 4.47349 5.02887 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.89276 12.4645 6.7117 4.89219 4.47349 8.40073 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 7.89276 4.89219 4.47349 12.4645 6.7117 8.40073 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.89276 12.4645 6.7117 3.91112 5.65185 10.2427 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 7.89276 3.91112 5.65185 12.4645 6.7117 10.2427 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 7.89276 4.89219 4.47349 3.91112 5.65185 5.02887 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 7.89276 3.91112 5.65185 4.89219 4.47349 5.02887 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 7.35647 6.73179 9.72053 12.7556 7.7949 15.1532 numMergedOcc 0
25 mol 130 unq 0 iso 1 dist 7.35647 12.7556 7.7949 6.73179 9.72053 15.1532 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 4.88366 8.77629 9.72053 6.51295 7.7949 15.1532 numMergedOcc 0
27 mol 130 unq 1 iso 1 dist 4.88366 6.51295 7.7949 8.77629 9.72053 15.1532 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 10.879 6.23142 5.00526 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 7.85849 10.879 6.23142 9.30817 7.69991 5.00526 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 7.85849 9.30817 7.69991 16.7911 9.94764 11.3271 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 7.85849 16.7911 9.94764 9.30817 7.69991 11.3271 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 7.85849 10.879 6.23142 16.7911 9.94764 6.81259 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 7.85849 16.7911 9.94764 10.879 6.23142 6.81259 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.35946 5.65802 5.83771 10.9294 7.80532 5.79898 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 9.35946 10.9294 7.80532 5.65802 5.83771 5.79898 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 6.08299 6.16353 7.69991 7.07625 6.23142 5.00526 numMergedOcc 0
37 mol 134 unq 3 iso 1 dist 6.08299 7.07625 6.23142 6.16353 7.69991 5.00526 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 6.08299 6.16353 7.69991 10.4858 9.94764 11.3271 numMergedOcc 0
39 mol 134 unq 4 iso 1 dist 6.08299 10.4858 9.94764 6.16353 7.69991 11.3271 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 6.08299 7.07625 6.23142 10.4858 9.94764 6.81259 numMergedOcc 0
41 mol 134 unq 4 iso 1 dist 6.08299 10.4858 9.94764 7.07625 6.23142 6.81259 numMergedOcc 0
42 mol 135 unq 0 iso 0 dist 5.95344 5.52034 5.62052 9.8859 7.85645 6.57193 numMergedOcc 0
43 mol 135 unq 0 iso 1 dist 5.95344 9.8859 7.85645 5.52034 5.62052 6.57193 numMergedOcc 0
44 mol 135 unq 1 iso 0 dist 7.8687 9.8231 5.62052 10.955 7.85645 6.57193 numMergedOcc 0
45 mol 135 unq 1 iso 1 dist 7.8687 10.955 7.85645 9.8231 5.62052 6.57193 numMergedOcc 0
46 mol 146 unq 0 iso 0 dist 6.4477 5.1208 8.84535 8.91039 8.82188 9.83507 numMergedOcc 0
47 mol 146 unq 0 iso 1 dist 6.4477 8.91039 8.82188 5.1208 8.84535 9.83507 numMergedOcc 0
48 mol 146 unq 1 iso 0 dist 7.92203 9.57404 8.84535 5.03943 8.82188 9.83507 numMergedOcc 0
49 mol 146 unq 1 iso 1 dist 7.92203 5.03943 8.82188 9.57404 8.84535 9.83507 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 6.01599 5.6926 6.30021 4.88441 9.47433 5.76755 numMergedOcc 0
51 mol 156 unq 0 iso 1 dist 6.01599 4.88441 9.47433 5.6926 6.30021 5.76755 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 6.19189 6.13422 7.76163 9.40374 8.73217 14.5862 numMergedOcc 0
53 mol 186 unq 0 iso 1 dist 6.19189 9.40374 8.73217 6.13422 7.76163 14.5862 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 8.34668 10.2733 7.76163 12.4751 8.73217 14.5862 numMergedOcc 0
55 mol 186 unq 1 iso 1 dist 8.34668 12.4751 8.73217 10.2733 7.76163 14.5862 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 4.46919 6.70342 9.55668 5.06584 6.95126 9.89669 numMergedOcc 0
57 mol 235 unq 0 iso 1 dist 4.46919 5.06584 6.95126 6.70342 9.55668 9.89669 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.97527 11.1632 7.57812 5.18833 9.24557 10.0191 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 6.97527 5.18833 9.24557 11.1632 7.57812 10.0191 numMergedOcc 0
60 mol 271 unq 0 iso 0 dist 6.7192 10.6358 8.98576 5.64566 8.92636 7.04094 numMergedOcc 0
61 mol 271 unq 0 iso 1 dist 6.7192 5.64566 8.92636 10.6358 8.98576 7.04094 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 6.74022 10.7073 8.52587 6.45522 6.39866 11.3308 numMergedOcc 0
63 mol 274 unq 0 iso 1 dist 6.74022 6.45522 6.39866 10.7073 8.52587 11.3308 numMergedOcc 0
