0 mol 48 unq 0 iso 0 dist 8.05728 8.572 9.60669 9.57046 9.40644 15.6996 11.3291 7.99434 15.97 3.85292 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.05728 8.572 9.60669 4.91237 5.35252 10.71 11.3291 7.99434 15.97 6.44604 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.65672 6.35779 7.31044 14.3275 9.11512 15.4032 10.6356 7.61377 12.5231 3.90956 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 5.52891 8.94636 3.75302 6.87376 5.83719 8.95465 4.58529 9.64136 12.5142 11.1718 numMergedOcc 0
4 mol 204 unq 0 iso 0 dist 8.40718 8.29256 13.1706 12.4189 6.20044 18.3655 16.6893 8.77524 21.8584 6.42785 numMergedOcc 0
5 mol 204 unq 1 iso 0 dist 8.40718 8.29256 13.1706 12.8445 8.41232 20.139 16.6893 8.77524 21.8584 7.66776 numMergedOcc 0
6 mol 204 unq 2 iso 0 dist 8.40718 7.8274 5.79978 12.4189 6.20044 10.9061 16.6893 8.77524 13.8543 6.42785 numMergedOcc 0
7 mol 204 unq 3 iso 0 dist 8.40718 7.8274 5.79978 12.8445 8.41232 14.0386 16.6893 8.77524 13.8543 7.66776 numMergedOcc 0
8 mol 258 unq 0 iso 0 dist 9.46746 8.77675 9.00563 3.74614 9.48772 10.163 3.78294 9.48672 11.832 4.65265 numMergedOcc 0
9 mol 258 unq 1 iso 0 dist 9.46746 8.77675 9.00563 10.7968 5.53369 13.2467 3.78294 9.48672 11.832 9.41237 numMergedOcc 0
10 mol 258 unq 2 iso 0 dist 9.46746 8.77675 9.00563 12.9568 8.57274 12.3794 3.78294 9.48672 11.832 13.3588 numMergedOcc 0
11 mol 268 unq 0 iso 0 dist 8.43164 8.6577 5.39453 6.35006 5.94741 5.49906 3.43113 7.40323 9.52476 6.07203 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 12.5633 8.15119 9.07744 7.31817 4.1545 7.98956 9.21484 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 6.70414 5.11998 5.11865 12.5633 8.15119 9.07744 3.91224 4.25172 5.86185 10.3506 numMergedOcc 0
14 mol 277 unq 2 iso 0 dist 6.70414 5.79925 8.46455 12.5633 8.15119 12.4905 7.31817 4.1545 11.2004 9.21484 numMergedOcc 0
15 mol 277 unq 3 iso 0 dist 6.70414 5.79925 8.46455 12.5633 8.15119 12.4905 3.91224 4.25172 8.41856 10.3506 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 5.76796 6.73396 4.57431 11.2606 7.872 12.2776 10.1123 7.08681 8.80238 11.2722 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 5.76796 6.73396 4.57431 11.2606 7.872 12.2776 7.01472 4.95596 5.88958 9.22192 numMergedOcc 0
18 mol 285 unq 2 iso 0 dist 5.76796 6.73396 4.57431 11.2606 7.872 12.2776 11.0045 6.3508 7.78121 8.37376 numMergedOcc 0
19 mol 285 unq 3 iso 0 dist 5.76796 6.73396 4.57431 11.2606 7.872 12.2776 8.2602 8.3005 11.6117 6.76283 numMergedOcc 0
20 mol 285 unq 4 iso 0 dist 5.76796 6.73396 4.57431 8.7778 6.32984 9.58965 10.1123 7.08681 8.80238 3.57803 numMergedOcc 0
21 mol 285 unq 5 iso 0 dist 5.76796 6.73396 4.57431 8.7778 6.32984 9.58965 7.01472 4.95596 5.88958 11.1099 numMergedOcc 0
22 mol 285 unq 6 iso 0 dist 5.76796 6.73396 4.57431 8.7778 6.32984 9.58965 11.0045 6.3508 7.78121 11.5761 numMergedOcc 0
23 mol 285 unq 7 iso 0 dist 5.76796 6.73396 4.57431 8.7778 6.32984 9.58965 8.2602 8.3005 11.6117 11.5053 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 11.7613 9.31611 17.9398 5.03775 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 11.7613 9.31611 17.9398 8.95194 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 11.7613 9.31611 17.9398 5.03775 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 11.7613 9.31611 17.9398 8.95194 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 11.7613 9.31611 17.9398 5.03775 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 11.7613 9.31611 17.9398 8.95194 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 5.71656 7.48987 5.13965 8.43044 9.22572 8.83359 3.83842 8.32582 10.4035 7.55679 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 5.71656 8.35637 7.32602 8.43044 9.22572 15.6746 3.83842 8.32582 11.5203 7.55679 numMergedOcc 0
