0 mol 7 unq 0 iso 0 dist 6.64176 6.70503 5.99972 7.6899 9.68006 5.13353 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.64176 7.6899 9.68006 6.70503 5.99972 5.13353 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.28637 15.544 7.51452 9.10773 9.20198 16.5895 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.28637 9.10773 9.20198 15.544 7.51452 16.5895 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.84763 5.21858 6.46104 6.29941 7.36856 7.96502 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.84763 6.29941 7.36856 5.21858 6.46104 7.96502 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.02731 11.4221 7.56205 4.05764 4.74544 8.62608 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 6.02731 4.05764 4.74544 11.4221 7.56205 8.62608 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 8.70783 10.8737 6.72639 9.96191 6.76508 5.48814 numMergedOcc 0
9 mol 65 unq 0 iso 1 dist 8.70783 9.96191 6.76508 10.8737 6.72639 5.48814 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.38064 10.3471 7.80975 7.25847 7.10378 10.8586 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 5.38064 7.25847 7.10378 10.3471 7.80975 10.8586 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.73325 11.209 9.72053 12.8735 7.7949 15.1532 numMergedOcc 0
13 mol 130 unq 0 iso 1 dist 9.73325 12.8735 7.7949 11.209 9.72053 15.1532 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 6.28491 5.15943 8.84535 5.67737 8.82188 9.83507 numMergedOcc 0
15 mol 146 unq 0 iso 1 dist 6.28491 5.67737 8.82188 5.15943 8.84535 9.83507 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 7.91633 5.5847 6.22055 10.3708 8.18085 5.99954 numMergedOcc 0
17 mol 148 unq 0 iso 1 dist 7.91633 10.3708 8.18085 5.5847 6.22055 5.99954 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.11909 5.64485 6.14675 10.6142 7.94889 5.93095 numMergedOcc 0
19 mol 150 unq 0 iso 1 dist 8.11909 10.6142 7.94889 5.64485 6.14675 5.93095 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.89987 7.89844 6.2479 5.10258 6.22122 6.01247 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 9.89987 5.10258 6.22122 7.89844 6.2479 6.01247 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.89987 7.89844 6.2479 16.1714 7.99195 8.88798 numMergedOcc 0
23 mol 181 unq 1 iso 1 dist 9.89987 16.1714 7.99195 7.89844 6.2479 8.88798 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.89987 5.10258 6.22122 16.1714 7.99195 12.6324 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.89987 16.1714 7.99195 5.10258 6.22122 12.6324 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.28099 14.6912 7.76163 6.15341 8.73217 14.5862 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 8.28099 6.15341 8.73217 14.6912 7.76163 14.5862 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 4.83135 6.85258 6.70531 9.99132 6.86319 10.2747 numMergedOcc 0
29 mol 196 unq 0 iso 1 dist 4.83135 9.99132 6.86319 6.85258 6.70531 10.2747 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 5.08111 9.40808 6.56633 numMergedOcc 0
31 mol 232 unq 0 iso 1 dist 8.70651 5.08111 9.40808 9.88635 8.50102 6.56633 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 9.42382 7.02333 5.6348 numMergedOcc 0
33 mol 238 unq 0 iso 1 dist 6.38654 9.42382 7.02333 6.89249 8.94014 5.6348 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 6.38654 6.89249 8.94014 11.5722 8.67864 8.87326 numMergedOcc 0
35 mol 238 unq 1 iso 1 dist 6.38654 11.5722 8.67864 6.89249 8.94014 8.87326 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 6.38654 9.42382 7.02333 11.5722 8.67864 5.31152 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 6.38654 11.5722 8.67864 9.42382 7.02333 5.31152 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 9.77185 9.71057 8.94014 4.39154 7.02333 5.6348 numMergedOcc 0
39 mol 238 unq 2 iso 1 dist 9.77185 4.39154 7.02333 9.71057 8.94014 5.6348 numMergedOcc 0
40 mol 238 unq 3 iso 0 dist 9.77185 9.71057 8.94014 6.77956 8.67864 8.87326 numMergedOcc 0
41 mol 238 unq 3 iso 1 dist 9.77185 6.77956 8.67864 9.71057 8.94014 8.87326 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 9.77185 4.39154 7.02333 6.77956 8.67864 5.31152 numMergedOcc 0
43 mol 238 unq 3 iso 1 dist 9.77185 6.77956 8.67864 4.39154 7.02333 5.31152 numMergedOcc 0
44 mol 243 unq 0 iso 0 dist 7.24253 6.54531 7.49645 11.6229 9.9222 5.37618 numMergedOcc 0
45 mol 243 unq 0 iso 1 dist 7.24253 11.6229 9.9222 6.54531 7.49645 5.37618 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 7.41653 6.88723 9.63959 7.08073 9.96262 12.4198 numMergedOcc 0
47 mol 258 unq 0 iso 1 dist 7.41653 7.08073 9.96262 6.88723 9.63959 12.4198 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 7.41653 6.88723 9.63959 11.7129 7.21311 12.321 numMergedOcc 0
49 mol 258 unq 1 iso 1 dist 7.41653 11.7129 7.21311 6.88723 9.63959 12.321 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 7.41653 7.08073 9.96262 11.7129 7.21311 10.7374 numMergedOcc 0
51 mol 258 unq 1 iso 1 dist 7.41653 11.7129 7.21311 7.08073 9.96262 10.7374 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 5.69584 7.08526 6.96053 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 9.98231 5.69584 7.08526 6.00315 7.98231 6.96053 numMergedOcc 0
54 mol 271 unq 0 iso 0 dist 8.97962 10.8708 8.98576 12.9071 8.92636 7.04094 numMergedOcc 0
55 mol 271 unq 0 iso 1 dist 8.97962 12.9071 8.92636 10.8708 8.98576 7.04094 numMergedOcc 0
