0 mol 26 unq 0 iso 0 dist 8.84763 5.21858 6.46104 6.29941 7.36856 7.96502 10.6287 7.3022 11.0099 4.74747 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.84763 6.29941 7.36856 5.21858 6.46104 7.96502 10.6287 7.3022 4.74747 11.0099 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.02731 11.4221 7.56205 4.05764 4.74544 8.62608 7.29999 6.04903 11.7069 5.49555 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 6.02731 4.05764 4.74544 11.4221 7.56205 8.62608 7.29999 6.04903 5.49555 11.7069 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.73325 11.209 9.72053 12.8735 7.7949 15.1532 13.5529 6.90634 6.01663 12.8559 numMergedOcc 0
5 mol 130 unq 0 iso 1 dist 9.73325 12.8735 7.7949 11.209 9.72053 15.1532 13.5529 6.90634 12.8559 6.01663 numMergedOcc 0
6 mol 146 unq 0 iso 0 dist 6.28491 5.15943 8.84535 5.67737 8.82188 9.83507 10.8638 9.44952 14.7359 7.00857 numMergedOcc 0
7 mol 146 unq 0 iso 1 dist 6.28491 5.67737 8.82188 5.15943 8.84535 9.83507 10.8638 9.44952 7.00857 14.7359 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 7.91633 5.5847 6.22055 10.3708 8.18085 5.99954 15.2878 9.73927 10.2478 6.84291 numMergedOcc 0
9 mol 148 unq 0 iso 1 dist 7.91633 10.3708 8.18085 5.5847 6.22055 5.99954 15.2878 9.73927 6.84291 10.2478 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 8.11909 5.64485 6.14675 10.6142 7.94889 5.93095 15.4689 9.66129 10.2318 6.79619 numMergedOcc 0
11 mol 150 unq 0 iso 1 dist 8.11909 10.6142 7.94889 5.64485 6.14675 5.93095 15.4689 9.66129 6.79619 10.2318 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.89987 7.89844 6.2479 5.10258 6.22122 6.01247 13.7713 9.06217 6.25083 10.5753 numMergedOcc 0
13 mol 181 unq 0 iso 1 dist 9.89987 5.10258 6.22122 7.89844 6.2479 6.01247 13.7713 9.06217 10.5753 6.25083 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.89987 7.89844 6.2479 5.10258 6.22122 6.01247 9.77651 7.13252 4.77278 5.88819 numMergedOcc 0
15 mol 181 unq 1 iso 1 dist 9.89987 5.10258 6.22122 7.89844 6.2479 6.01247 9.77651 7.13252 5.88819 4.77278 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.89987 7.89844 6.2479 16.1714 7.99195 8.88798 13.7713 9.06217 6.25083 5.86342 numMergedOcc 0
17 mol 181 unq 2 iso 1 dist 9.89987 16.1714 7.99195 7.89844 6.2479 8.88798 13.7713 9.06217 5.86342 6.25083 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 9.89987 7.89844 6.2479 16.1714 7.99195 8.88798 9.77651 7.13252 4.77278 9.14057 numMergedOcc 0
19 mol 181 unq 3 iso 1 dist 9.89987 16.1714 7.99195 7.89844 6.2479 8.88798 9.77651 7.13252 9.14057 4.77278 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.89987 5.10258 6.22122 16.1714 7.99195 12.6324 13.7713 9.06217 10.5753 5.86342 numMergedOcc 0
21 mol 181 unq 2 iso 1 dist 9.89987 16.1714 7.99195 5.10258 6.22122 12.6324 13.7713 9.06217 5.86342 10.5753 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.89987 5.10258 6.22122 16.1714 7.99195 12.6324 9.77651 7.13252 5.88819 9.14057 numMergedOcc 0
23 mol 181 unq 3 iso 1 dist 9.89987 16.1714 7.99195 5.10258 6.22122 12.6324 9.77651 7.13252 9.14057 5.88819 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.28099 14.6912 7.76163 6.15341 8.73217 14.5862 9.25757 9.84492 10.5203 11.7299 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 8.28099 6.15341 8.73217 14.6912 7.76163 14.5862 9.25757 9.84492 11.7299 10.5203 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 5.08111 9.40808 6.56633 14.7996 7.17337 8.78722 13.5597 numMergedOcc 0
27 mol 232 unq 0 iso 1 dist 8.70651 5.08111 9.40808 9.88635 8.50102 6.56633 14.7996 7.17337 13.5597 8.78722 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 9.42382 7.02333 5.6348 12.2552 7.04753 10.8635 5.68826 numMergedOcc 0
29 mol 238 unq 0 iso 1 dist 6.38654 9.42382 7.02333 6.89249 8.94014 5.6348 12.2552 7.04753 5.68826 10.8635 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.38654 6.89249 8.94014 11.5722 8.67864 8.87326 12.2552 7.04753 10.8635 4.87097 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 6.38654 11.5722 8.67864 6.89249 8.94014 8.87326 12.2552 7.04753 4.87097 10.8635 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.38654 9.42382 7.02333 11.5722 8.67864 5.31152 12.2552 7.04753 5.68826 4.87097 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 6.38654 11.5722 8.67864 9.42382 7.02333 5.31152 12.2552 7.04753 4.87097 5.68826 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 9.77185 9.71057 8.94014 4.39154 7.02333 5.6348 5.27441 7.04753 10.8635 5.68826 numMergedOcc 0
35 mol 238 unq 2 iso 1 dist 9.77185 4.39154 7.02333 9.71057 8.94014 5.6348 5.27441 7.04753 5.68826 10.8635 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 9.77185 9.71057 8.94014 6.77956 8.67864 8.87326 5.27441 7.04753 10.8635 4.87097 numMergedOcc 0
37 mol 238 unq 3 iso 1 dist 9.77185 6.77956 8.67864 9.71057 8.94014 8.87326 5.27441 7.04753 4.87097 10.8635 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 9.77185 4.39154 7.02333 6.77956 8.67864 5.31152 5.27441 7.04753 5.68826 4.87097 numMergedOcc 0
39 mol 238 unq 3 iso 1 dist 9.77185 6.77956 8.67864 4.39154 7.02333 5.31152 5.27441 7.04753 4.87097 5.68826 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 7.24253 6.54531 7.49645 11.6229 9.9222 5.37618 5.32118 7.12785 5.70464 10.3961 numMergedOcc 0
41 mol 243 unq 0 iso 1 dist 7.24253 11.6229 9.9222 6.54531 7.49645 5.37618 5.32118 7.12785 10.3961 5.70464 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 7.24253 6.54531 7.49645 11.6229 9.9222 5.37618 11.4546 6.66959 7.83758 7.8399 numMergedOcc 0
43 mol 243 unq 1 iso 1 dist 7.24253 11.6229 9.9222 6.54531 7.49645 5.37618 11.4546 6.66959 7.8399 7.83758 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 5.69584 7.08526 6.96053 11.4659 8.71497 11.6195 5.79468 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 9.98231 5.69584 7.08526 6.00315 7.98231 6.96053 11.4659 8.71497 5.79468 11.6195 numMergedOcc 0
46 mol 271 unq 0 iso 0 dist 8.97962 10.8708 8.98576 12.9071 8.92636 7.04094 6.75816 5.81266 6.78222 6.20098 numMergedOcc 0
47 mol 271 unq 0 iso 1 dist 8.97962 12.9071 8.92636 10.8708 8.98576 7.04094 6.75816 5.81266 6.20098 6.78222 numMergedOcc 0
