0 mol 24 unq 0 iso 0 dist 8.58581 8.14598 11.3716 9.20254 13.0211 7.95042 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.85982 9.90923 8.95801 14.8791 17.9364 9.8703 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.85982 9.90923 8.95801 5.31976 5.57389 7.39665 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.36674 8.86846 6.3642 6.06198 7.44784 6.04595 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.45114 8.57774 9.56898 5.99695 11.0507 5.58833 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 7.73306 8.62632 7.05332 11.6877 6.495 6.89918 numMergedOcc 0
6 mol 132 unq 1 iso 0 dist 7.73306 8.62632 7.05332 11.8999 9.43748 7.89457 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 8.22267 8.8774 5.62883 4.85077 9.36307 9.56028 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.29651 5.27578 5.74718 7.82249 12.2935 9.3498 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 7.29651 5.27578 5.74718 9.09826 12.2248 7.05695 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 5.65146 8.25953 13.4486 5.47219 6.99623 9.3498 numMergedOcc 0
11 mol 186 unq 3 iso 0 dist 5.65146 8.25953 13.4486 6.51869 11.2207 7.05695 numMergedOcc 0
12 mol 186 unq 4 iso 0 dist 7.87204 6.49577 7.52497 8.24478 13.7492 8.73533 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.40971 9.63224 12.5976 6.34098 11.6579 9.78634 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 8.40971 6.98794 13.426 6.34098 11.6579 5.64942 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 8.40971 6.98794 13.426 9.57246 16.8322 6.97962 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 9.03969 7.27963 8.1388 10.6103 9.94212 6.42257 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 8.50339 8.07576 9.91267 9.52592 16.9327 9.82601 numMergedOcc 0
18 mol 251 unq 1 iso 0 dist 8.50339 8.07576 9.91267 7.54315 13.2248 6.50357 numMergedOcc 0
19 mol 255 unq 0 iso 0 dist 7.20562 7.58813 7.45603 9.02294 12.1931 6.87333 numMergedOcc 0
20 mol 255 unq 1 iso 0 dist 7.20562 7.58813 7.45603 4.15604 10.7924 9.86207 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.06955 8.40328 10.8479 6.18571 11.1172 5.85442 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 8.06955 8.40328 10.8479 12.3834 17.0949 6.9899 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 8.06955 8.2518 7.94707 11.0067 11.8745 9.46361 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 8.06955 8.2518 7.94707 6.18571 11.1172 6.95511 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 6.88553 7.4869 8.13853 6.07005 9.26066 6.02353 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 6.88553 7.4869 8.13853 7.38048 12.5331 6.86234 numMergedOcc 0
