0 mol 13 unq 0 iso 0 dist 7.97656 6.67016 5.78148 11.8686 5.94592 6.26071 13.2635 10.9884 9.10587 7.39275 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 7.97656 6.67016 5.78148 14.9969 10.8906 8.43325 13.2635 10.9884 9.10587 7.82977 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.69454 4.20374 7.48847 10.6173 10.8007 6.92532 10.596 8.19436 7.69625 10.3648 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.69454 4.20374 7.48847 10.1088 10.6598 6.36455 10.596 8.19436 7.69625 6.49317 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.67936 6.4628 5.88354 10.4233 4.50554 7.89665 11.9433 10.7735 7.63183 9.38161 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.67936 6.4628 5.88354 10.7879 7.40461 5.39354 11.9433 10.7735 7.63183 10.5878 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 6.67936 6.4628 5.88354 8.25817 7.72877 5.74854 11.9433 10.7735 7.63183 13.1711 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 6.67936 6.4628 5.88354 14.7214 10.51 8.76566 11.9433 10.7735 7.63183 7.42291 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 6.67936 6.4628 5.88354 15.072 13.5683 8.8368 11.9433 10.7735 7.63183 8.01486 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 8.25817 6.4628 5.74854 6.67936 7.72877 5.88354 11.9433 13.1711 7.63183 10.7735 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 8.25817 6.4628 5.74854 10.4233 11.0242 7.89665 11.9433 13.1711 7.63183 9.38161 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 8.25817 6.4628 5.74854 10.7879 5.09649 5.39354 11.9433 13.1711 7.63183 10.5878 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 8.25817 6.4628 5.74854 14.7214 11.9511 8.76566 11.9433 13.1711 7.63183 7.42291 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 8.25817 6.4628 5.74854 15.072 11.569 8.8368 11.9433 13.1711 7.63183 8.01486 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 6.31633 5.70461 8.67766 7.21115 6.48636 8.0831 13.0715 11.8348 9.92553 15.0307 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 7.21115 5.70461 8.0831 6.31633 6.48636 8.67766 13.0715 15.0307 9.92553 11.8348 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.42766 16.5854 8.56342 13.6653 4.85907 7.99857 10.1832 3.78311 8.03035 4.99056 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 19.0337 13.2572 9.15431 18.9595 15.7796 7.76594 7.21005 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 8.97145 13.3078 9.29384 14.5129 6.63273 6.92648 18.9595 15.7796 7.76594 11.5688 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 6.5874 10.6416 9.29384 17.918 13.2572 9.15431 18.2246 15.7796 7.76594 7.21005 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 6.5874 10.6416 9.29384 11.4628 6.63273 6.92648 18.2246 15.7796 7.76594 11.5688 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 10.8958 6.21253 7.86572 15.2962 9.76015 8.26172 8.24418 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 14.5119 7.65448 8.28642 12.0246 7.2238 6.39031 5.59336 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 19.4179 14.6506 6.26839 19.128 13.0333 5.52678 6.66155 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 7.32478 14.1302 8.83356 19.4179 14.6506 6.26839 23.3161 18.6469 9.81666 5.4499 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 7.32478 14.1302 8.83356 20.3165 13.5632 8.12346 19.128 13.0333 5.52678 6.12973 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 7.32478 14.1302 8.83356 20.3165 13.5632 8.12346 23.3161 18.6469 9.81666 11.0239 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 7.32478 14.1302 8.83356 17.2654 11.6097 8.2654 19.128 13.0333 5.52678 10.1796 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 7.32478 14.1302 8.83356 17.2654 11.6097 8.2654 23.3161 18.6469 9.81666 13.5457 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 9.48439 13.752 8.83356 18.8501 14.6506 6.26839 18.5692 13.0333 5.52678 6.66155 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 9.48439 13.752 8.83356 18.8501 14.6506 6.26839 21.8708 18.6469 9.81666 5.4499 numMergedOcc 0
31 mol 194 unq 8 iso 0 dist 9.48439 13.752 8.83356 21.1435 13.5632 8.12346 18.5692 13.0333 5.52678 6.12973 numMergedOcc 0
32 mol 194 unq 9 iso 0 dist 9.48439 13.752 8.83356 21.1435 13.5632 8.12346 21.8708 18.6469 9.81666 11.0239 numMergedOcc 0
33 mol 194 unq 10 iso 0 dist 9.48439 13.752 8.83356 18.8876 11.6097 8.2654 18.5692 13.0333 5.52678 10.1796 numMergedOcc 0
34 mol 194 unq 11 iso 0 dist 9.48439 13.752 8.83356 18.8876 11.6097 8.2654 21.8708 18.6469 9.81666 13.5457 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 9.71281 6.09244 6.39158 9.2433 12.1984 7.75722 13.9106 5.72331 9.81305 12.6437 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 9.71281 6.09244 6.39158 9.2433 12.1984 7.75722 10.6449 8.33772 6.89118 5.70265 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 9.2433 6.09244 7.75722 9.71281 12.1984 6.39158 13.9106 12.6437 9.81305 5.72331 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 9.2433 6.09244 7.75722 9.71281 12.1984 6.39158 10.6449 5.70265 6.89118 8.33772 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.31417 16.0652 7.32982 15.7202 10.0191 6.66971 17.0145 10.7551 9.89583 10.7508 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.31417 16.0652 7.32982 17.1026 10.1648 6.4398 17.0145 10.7551 9.89583 5.87253 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 5.56719 11.468 7.32982 11.1188 10.0191 6.66971 13.9848 10.7551 9.89583 10.7508 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 5.56719 11.468 7.32982 12.9351 10.1648 6.4398 13.9848 10.7551 9.89583 5.87253 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 9.73021 7.37634 7.50201 9.89226 6.0987 6.53679 6.88874 5.25252 8.55481 6.28227 numMergedOcc 0
