0 mol 34 unq 0 iso 0 dist 7.18022 6.24711 3.39994 5.32981 7.79336 7.08559 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 6.24711 7.18022 3.39994 5.32981 7.08559 7.79336 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 6.11922 9.14817 9.76686 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 5.03251 6.21799 3.43675 6.11922 9.76686 9.14817 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.21799 7.66093 5.75711 6.11922 9.14817 9.437 numMergedOcc 0
5 mol 72 unq 1 iso 1 dist 7.66093 6.21799 5.75711 6.11922 9.437 9.14817 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.03251 7.66093 5.26077 6.11922 9.76686 9.437 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 7.66093 5.03251 5.26077 6.11922 9.437 9.76686 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 9.55118 9.10345 9.20237 7.17489 6.7272 7.64009 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 9.10345 9.55118 9.20237 7.17489 7.64009 6.7272 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 4.92509 5.47706 8.07568 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 5.77326 6.85523 8.2592 4.92509 8.07568 5.47706 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 8.65848 7.25801 7.95975 5.22036 5.47706 8.89842 numMergedOcc 0
13 mol 78 unq 1 iso 1 dist 7.25801 8.65848 7.95975 5.22036 8.89842 5.47706 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.54889 5.2571 6.70343 10.0962 4.44979 6.61111 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 5.2571 7.54889 6.70343 10.0962 6.61111 4.44979 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 7.78931 8.7497 6.70343 11.2452 4.44979 6.61111 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 8.7497 7.78931 6.70343 11.2452 6.61111 4.44979 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.05166 5.56994 5.11 6.35364 8.91262 6.12922 numMergedOcc 0
19 mol 112 unq 0 iso 1 dist 5.56994 9.05166 5.11 6.35364 6.12922 8.91262 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.1998 8.69531 5.83782 6.74887 6.44575 7.43401 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 8.69531 9.1998 5.83782 6.74887 7.43401 6.44575 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.00918 7.99477 4.87973 5.9915 5.73203 6.57379 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 7.99477 9.00918 4.87973 5.9915 6.57379 5.73203 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.36975 5.40637 10.1474 5.44503 8.18023 7.46803 numMergedOcc 0
25 mol 143 unq 0 iso 1 dist 5.40637 7.36975 10.1474 5.44503 7.46803 8.18023 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 7.20495 7.02548 6.81449 6.36909 9.1326 7.30954 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 7.02548 7.20495 6.81449 6.36909 7.30954 9.1326 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 6.7991 9.09234 6.76746 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 9.01624 6.64173 11.196 6.7991 6.76746 9.09234 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 6.7991 9.09234 8.92098 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 9.55105 6.64173 10.1041 6.7991 8.92098 9.09234 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 6.7991 6.76746 8.92098 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 9.55105 9.01624 3.55187 6.7991 8.92098 6.76746 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.07475 6.99888 3.46869 10.0613 9.82327 7.06768 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 6.99888 9.07475 3.46869 10.0613 7.06768 9.82327 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.03219 6.9899 8.0048 5.31048 8.84648 6.23661 numMergedOcc 0
37 mol 259 unq 0 iso 1 dist 6.9899 8.03219 8.0048 5.31048 6.23661 8.84648 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 12.1551 5.84792 8.73515 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 7.30758 9.46442 3.57128 12.1551 8.73515 5.84792 numMergedOcc 0
