0 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 9.0131 13.1462 9.14817 9.35457 17.0868 3.43675 9.76686 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 9.27838 7.12321 14.005 9.0131 13.1462 9.14817 12.1131 17.5421 5.75711 9.437 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 9.81956 3.92737 6.70343 4.44979 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.23884 9.64383 12.82 12.0058 15.3281 4.44979 14.0897 18.9962 6.70343 6.61111 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 4.47349 7.54889 3.92737 10.0962 6.0129 4.44979 5.2571 3.94967 6.70343 6.61111 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 7.54889 3.92737 6.70343 4.44979 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 5.65185 7.78931 3.92737 11.2452 6.0129 4.44979 8.7497 3.94967 6.70343 6.61111 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 7.78931 3.92737 6.70343 4.44979 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 7.36192 11.8717 9.08536 11.2897 12.8661 12.7135 6.55202 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.52773 7.64052 5.37917 10.6679 11.8717 9.08536 12.31 12.8661 12.7135 6.55202 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.00003 8.95212 12.3661 16.7975 19.5351 9.08536 20.5378 20.8622 12.7135 6.55202 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.23858 7.64052 15.7711 10.6679 15.8603 9.08536 12.31 13.3563 12.7135 6.55202 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.3585 8.55616 7.43401 11.0808 11.5269 5.83782 6.44575 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 6.74887 8.55616 6.44575 8.69531 6.93712 5.83782 7.43401 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.94764 8.69531 6.93712 6.74887 8.55616 7.43401 9.1998 11.5269 5.83782 6.44575 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 5.44503 13.204 8.18023 5.40637 10.0079 10.1474 7.46803 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.78652 5.40637 10.0079 5.44503 13.204 7.46803 7.36975 12.207 10.1474 8.18023 numMergedOcc 0
17 mol 143 unq 2 iso 0 dist 8.91301 7.36975 14.7271 5.44503 13.8861 8.18023 5.40637 9.05366 10.1474 7.46803 numMergedOcc 0
18 mol 143 unq 3 iso 0 dist 8.91301 5.40637 9.05366 5.44503 13.8861 7.46803 7.36975 14.7271 10.1474 8.18023 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 9.67741 7.20495 5.43662 6.36909 7.80054 9.1326 7.02548 5.95858 6.81449 7.30954 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 9.67741 7.02548 5.95858 6.36909 7.80054 7.30954 7.20495 5.43662 6.81449 9.1326 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.94469 6.64173 4.98436 6.7991 7.05653 9.09234 9.01624 11.9796 11.196 6.76746 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 5.94469 6.64173 4.98436 6.7991 7.05653 9.09234 9.55105 12.3589 10.1041 8.92098 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 6.64173 4.98436 11.196 9.09234 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 9.55105 12.3589 3.55187 8.92098 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 5.94469 9.55105 12.3589 6.7991 7.05653 8.92098 6.64173 4.98436 10.1041 9.09234 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 5.94469 9.55105 12.3589 6.7991 7.05653 8.92098 9.01624 11.9796 3.55187 6.76746 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.10685 9.07475 5.37176 10.0613 12.5578 9.82327 6.99888 6.65214 3.46869 7.06768 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.10685 9.07475 5.37176 10.0613 12.5578 9.82327 14.3724 14.5675 9.64248 9.08687 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.10685 6.99888 6.65214 5.54325 10.1326 5.43613 8.63015 13.8857 11.1752 7.24334 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 7.10685 6.99888 6.65214 10.0613 12.5578 7.06768 9.07475 5.37176 3.46869 9.82327 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 7.10685 6.99888 6.65214 10.0613 12.5578 7.06768 14.3724 14.5675 8.33582 9.08687 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 7.08526 5.85442 4.47425 5.79468 8.71497 6.23661 11.7465 7.57379 8.0048 8.84648 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 7.83341 9.9182 13.4805 18.0293 21.7057 8.73515 17.5894 18.9691 8.21724 6.1905 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 7.83341 9.9182 13.4805 18.0293 21.7057 8.73515 13.4489 16.3436 3.57128 5.84792 numMergedOcc 0
35 mol 292 unq 2 iso 0 dist 9.88863 9.74118 3.92782 5.98906 5.7131 6.1905 11.3379 5.93687 4.99426 5.84792 numMergedOcc 0
36 mol 292 unq 3 iso 0 dist 9.88863 9.74118 3.92782 5.98906 5.7131 6.1905 14.1177 9.40023 8.21724 8.73515 numMergedOcc 0
37 mol 292 unq 4 iso 0 dist 8.87028 9.46442 6.00981 12.1551 11.7643 5.84792 14.4052 9.62061 4.99426 6.1905 numMergedOcc 0
38 mol 292 unq 5 iso 0 dist 8.87028 9.46442 6.00981 12.1551 11.7643 5.84792 7.30758 4.09485 3.57128 8.73515 numMergedOcc 0
39 mol 292 unq 6 iso 0 dist 8.87028 7.30758 4.09485 12.1551 11.7643 8.73515 14.4052 9.62061 8.21724 6.1905 numMergedOcc 0
40 mol 292 unq 7 iso 0 dist 8.87028 7.30758 4.09485 12.1551 11.7643 8.73515 9.46442 6.00981 3.57128 5.84792 numMergedOcc 0
