0 mol 20 unq 0 iso 0 dist 5.88082 8.46939 8.65986 9.65298 4.0782 9.38691 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.88082 8.46939 8.65986 5.35469 4.11329 9.74724 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 5.88082 7.27778 9.39462 5.35469 4.11329 9.13347 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 5.35469 8.46939 9.74724 9.65298 6.55479 9.38691 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 5.35469 8.46939 9.74724 5.88082 4.11329 8.65986 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 5.35469 7.27778 9.13347 5.88082 4.11329 9.39462 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 5.31029 6.07019 7.68245 8.34499 6.51584 9.55686 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 8.34499 6.07019 9.55686 5.31029 6.51584 7.68245 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.88471 9.49441 9.86479 10.639 7.24261 8.70827 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 7.74797 15.7569 9.86479 14.9653 7.24261 8.70827 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 8.19547 5.15922 9.86479 10.5741 7.24261 8.70827 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 9.13904 6.524 5.16779 7.10245 4.05115 6.69121 numMergedOcc 0
12 mol 91 unq 1 iso 0 dist 7.10245 6.524 6.69121 9.13904 4.05115 5.16779 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.43033 8.75597 5.38148 16.717 11.0297 8.24171 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 9.43033 8.75597 5.38148 14.3461 10.0622 6.63094 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 8.57379 7.36026 6.63094 9.50933 7.51698 8.24171 numMergedOcc 0
16 mol 123 unq 3 iso 0 dist 8.57379 7.36026 6.63094 12.7002 10.0622 5.38148 numMergedOcc 0
17 mol 123 unq 4 iso 0 dist 5.87154 6.45068 8.24171 11.4423 11.0297 5.38148 numMergedOcc 0
18 mol 123 unq 5 iso 0 dist 5.87154 6.45068 8.24171 6.82663 7.51698 6.63094 numMergedOcc 0
19 mol 123 unq 6 iso 0 dist 6.82663 6.45068 6.63094 5.87154 7.51698 8.24171 numMergedOcc 0
20 mol 123 unq 7 iso 0 dist 6.82663 6.45068 6.63094 11.4423 10.0622 5.38148 numMergedOcc 0
21 mol 123 unq 8 iso 0 dist 9.93167 6.36283 5.38148 13.1465 11.0297 8.24171 numMergedOcc 0
22 mol 123 unq 9 iso 0 dist 9.93167 6.36283 5.38148 11.4155 10.0622 6.63094 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 8.94535 10.7769 8.94198 12.719 4.06975 9.49159 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 8.94535 10.7769 8.94198 10.3871 8.37672 8.79306 numMergedOcc 0
25 mol 231 unq 0 iso 0 dist 9.29492 8.52323 9.02803 11.2036 6.57627 5.45266 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 6.35781 4.59672 9.84342 8.06117 4.31231 9.85159 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 8.06117 4.59672 9.85159 6.35781 4.31231 9.84342 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 8.39401 10.459 6.56151 13.6871 7.60182 6.58752 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 5.85932 9.52943 7.8647 10.5547 6.88668 9.39727 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 5.34771 8.2722 9.90494 9.2825 12.4866 5.90121 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 9.2825 8.2722 5.90121 5.34771 12.4866 9.90494 numMergedOcc 0
32 mol 283 unq 2 iso 0 dist 9.40332 5.93642 9.90494 5.8676 12.4866 5.90121 numMergedOcc 0
33 mol 283 unq 3 iso 0 dist 5.8676 5.93642 5.90121 9.40332 12.4866 9.90494 numMergedOcc 0
