0 mol 11 unq 0 iso 0 dist 9.07476 10.5382 9.74528 9.46202 6.83186 15.0022 12.8782 7.16699 14.6629 5.40468 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.76224 8.34712 7.7871 11.7233 8.53424 11.1346 10.1412 9.64948 13.3907 5.42412 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.76224 8.34712 7.7871 13.0183 7.08766 10.8275 10.1412 9.64948 13.3907 8.09862 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.76224 8.34712 7.7871 13.0183 7.08766 10.8275 18.6656 10.1805 14.0551 8.97167 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 8.76224 8.34712 7.7871 10.9699 4.82199 7.90018 10.1412 9.64948 13.3907 8.89114 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 8.76224 8.34712 7.7871 10.9699 4.82199 7.90018 18.6656 10.1805 14.0551 8.8182 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.54314 4.44905 6.89855 7.57764 9.13228 9.54378 12.1216 12.6017 13.3867 6.42443 numMergedOcc 0
7 mol 63 unq 1 iso 0 dist 9.54314 6.25029 7.85738 7.57764 9.13228 4.44607 12.1216 12.6017 6.49343 6.42443 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.46582 4.00834 5.91098 9.68005 7.66068 11.6853 7.41861 8.58474 7.48127 9.50939 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 6.46582 9.6911 4.86523 9.68005 7.66068 4.94673 7.41861 8.58474 11.1162 9.50939 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.73466 6.26966 6.11101 5.83035 8.61143 7.38398 10.8417 7.86077 9.86325 7.50229 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 9.94528 9.39588 7.69755 5.31562 7.50925 4.12785 6.77845 4.48523 7.2118 5.13041 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 9.94528 14.6472 9.64197 5.31562 7.50925 9.58199 6.77845 4.48523 11.3405 5.13041 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 8.94777 12.0034 7.69755 8.56578 7.50925 4.12785 5.48555 4.48523 7.2118 5.13041 numMergedOcc 0
14 mol 83 unq 3 iso 0 dist 8.94777 16.6651 9.64197 8.56578 7.50925 9.58199 5.48555 4.48523 11.3405 5.13041 numMergedOcc 0
15 mol 83 unq 4 iso 0 dist 9.47551 5.68174 7.69755 7.14423 7.50925 4.12785 10.4604 4.48523 7.2118 5.13041 numMergedOcc 0
16 mol 83 unq 5 iso 0 dist 9.47551 6.90476 9.64197 7.14423 7.50925 9.58199 10.4604 4.48523 11.3405 5.13041 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.33353 9.44377 8.01266 6.21004 8.55237 4.65353 9.29249 4.51052 7.70612 9.62106 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.99256 6.28086 8.01593 6.2863 9.47092 4.45276 5.19913 3.86973 9.24729 9.62914 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 7.89302 10.4935 9.84028 8.51317 9.20109 11.2466 14.0267 9.72134 12.9967 7.40957 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.35293 6.3565 6.48382 7.2339 6.96692 5.79323 13.6478 4.39553 9.62494 9.90506 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 9.35293 6.3565 6.48382 7.2339 6.96692 5.79323 11.173 3.94797 10.0796 9.03341 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.35293 6.3565 6.48382 12.15 8.25286 7.52317 14.8446 7.63149 9.0836 6.39822 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 9.35293 6.3565 6.48382 12.15 8.25286 7.52317 13.6478 4.39553 9.62494 8.61077 numMergedOcc 0
24 mol 266 unq 4 iso 0 dist 9.35293 6.3565 6.48382 14.8334 9.9965 9.52953 14.8446 7.63149 9.0836 5.36518 numMergedOcc 0
25 mol 266 unq 5 iso 0 dist 9.35293 6.3565 6.48382 14.8334 9.9965 9.52953 13.6478 4.39553 9.62494 9.11585 numMergedOcc 0
26 mol 266 unq 6 iso 0 dist 7.93375 5.54798 6.48382 3.87565 6.96692 5.79323 11.907 4.39553 9.62494 9.90506 numMergedOcc 0
27 mol 266 unq 7 iso 0 dist 7.93375 5.54798 6.48382 3.87565 6.96692 5.79323 9.80006 3.94797 10.0796 9.03341 numMergedOcc 0
28 mol 266 unq 8 iso 0 dist 7.93375 5.54798 6.48382 9.25882 8.25286 7.52317 12.9059 7.63149 9.0836 6.39822 numMergedOcc 0
29 mol 266 unq 9 iso 0 dist 7.93375 5.54798 6.48382 9.25882 8.25286 7.52317 11.907 4.39553 9.62494 8.61077 numMergedOcc 0
30 mol 266 unq 10 iso 0 dist 7.93375 5.54798 6.48382 12.1357 9.9965 9.52953 12.9059 7.63149 9.0836 5.36518 numMergedOcc 0
31 mol 266 unq 11 iso 0 dist 7.93375 5.54798 6.48382 12.1357 9.9965 9.52953 11.907 4.39553 9.62494 9.11585 numMergedOcc 0
