0 mol 13 unq 0 iso 0 dist 7.97656 6.67016 5.78148 11.8686 5.94592 6.26071 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 7.97656 6.67016 5.78148 14.9969 10.8906 8.43325 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.69454 4.20374 7.48847 10.6173 10.8007 6.92532 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.69454 4.20374 7.48847 10.1088 10.6598 6.36455 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.27749 11.7103 8.82176 17.2674 12.2509 9.96399 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 6.27749 11.7103 8.82176 10.5768 5.00018 7.55695 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.67936 6.4628 5.88354 10.4233 4.50554 7.89665 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.67936 6.4628 5.88354 10.7879 7.40461 5.39354 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 6.67936 6.4628 5.88354 8.25817 7.72877 5.74854 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 6.67936 6.4628 5.88354 14.7214 10.51 8.76566 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 6.67936 6.4628 5.88354 15.072 13.5683 8.8368 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 8.25817 6.4628 5.74854 6.67936 7.72877 5.88354 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 8.25817 6.4628 5.74854 10.4233 11.0242 7.89665 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 8.25817 6.4628 5.74854 10.7879 5.09649 5.39354 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 8.25817 6.4628 5.74854 14.7214 11.9511 8.76566 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 8.25817 6.4628 5.74854 15.072 11.569 8.8368 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 6.31633 5.70461 8.67766 7.21115 6.48636 8.0831 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 7.21115 5.70461 8.0831 6.31633 6.48636 8.67766 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.42766 16.5854 8.56342 13.6653 4.85907 7.99857 numMergedOcc 0
19 mol 124 unq 0 iso 0 dist 9.91381 8.19216 8.80896 13.8846 5.59807 8.97264 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 19.0337 13.2572 9.15431 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 8.97145 13.3078 9.29384 14.5129 6.63273 6.92648 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 6.5874 10.6416 9.29384 17.918 13.2572 9.15431 numMergedOcc 0
23 mol 131 unq 3 iso 0 dist 6.5874 10.6416 9.29384 11.4628 6.63273 6.92648 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 10.8958 6.21253 7.86572 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 14.5119 7.65448 8.28642 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 19.4179 14.6506 6.26839 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 7.32478 14.1302 8.83356 20.3165 13.5632 8.12346 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 7.32478 14.1302 8.83356 17.2654 11.6097 8.2654 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 9.48439 13.752 8.83356 18.8501 14.6506 6.26839 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 9.48439 13.752 8.83356 21.1435 13.5632 8.12346 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 9.48439 13.752 8.83356 18.8876 11.6097 8.2654 numMergedOcc 0
32 mol 198 unq 0 iso 0 dist 6.47339 10.1932 8.10985 13.6688 11.6493 9.18635 numMergedOcc 0
33 mol 207 unq 0 iso 0 dist 5.08312 9.2787 7.96797 14.4693 11.0921 8.32218 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 9.71281 6.09244 6.39158 9.2433 12.1984 7.75722 numMergedOcc 0
35 mol 235 unq 1 iso 0 dist 9.2433 6.09244 7.75722 9.71281 12.1984 6.39158 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.31417 16.0652 7.32982 15.7202 10.0191 6.66971 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.31417 16.0652 7.32982 17.1026 10.1648 6.4398 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 5.56719 11.468 7.32982 11.1188 10.0191 6.66971 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 5.56719 11.468 7.32982 12.9351 10.1648 6.4398 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 9.73021 7.37634 7.50201 9.89226 6.0987 6.53679 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 5.81927 6.31492 8.15467 6.09782 4.26007 9.1925 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 6.09782 6.31492 9.1925 5.81927 4.26007 8.15467 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 7.93997 13.6686 8.55558 9.52383 9.98105 8.59697 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.98528 7.01469 6.57903 13.1975 6.59123 9.65707 numMergedOcc 0
