0 mol 7 unq 0 iso 0 dist 9.49232 8.98901 11.3411 6.16125 10.84 4.48817 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.49232 8.98901 11.3411 9.34656 6.58295 5.9201 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.13335 4.85969 4.13477 9.32718 5.38708 6.28592 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.28709 9.2794 9.10017 8.06918 10.7301 11.9871 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.28709 9.2794 9.10017 7.52623 11.7565 9.5704 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 9.28709 9.2794 9.10017 5.62294 12.3296 10.9277 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.98923 7.81363 12.4809 5.80964 12.5853 4.4432 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 6.12598 8.3907 8.66482 9.55337 11.1873 5.73775 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.86332 5.63173 4.77272 9.59094 6.27514 6.2062 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.17599 8.49649 13.5421 5.98435 6.19899 11.5532 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.17599 8.49649 13.5421 8.80672 14.2573 14.5276 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.78704 8.49649 9.3059 5.98435 11.2567 11.5532 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.78704 8.49649 9.3059 8.80672 11.0666 14.5276 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.49149 8.47476 14.125 9.55297 12.811 5.65619 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.49149 8.47476 14.125 7.447 7.91384 14.1869 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 8.49149 8.47476 14.125 6.59782 10.924 8.66026 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 8.49149 6.74947 8.50106 9.55297 12.811 15.8344 numMergedOcc 0
17 mol 141 unq 4 iso 0 dist 8.49149 6.74947 8.50106 7.447 7.91384 5.25586 numMergedOcc 0
18 mol 141 unq 5 iso 0 dist 8.49149 6.74947 8.50106 6.59782 10.924 10.1908 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 5.7126 9.08229 13.3242 9.4422 7.76836 10.9873 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 5.7126 7.99057 10.1682 9.4422 7.76836 12.2296 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.71975 6.32064 7.4746 8.87757 6.22751 7.23312 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 9.71975 5.29176 5.87489 8.87757 6.22751 7.96412 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 5.68392 8.36772 4.69692 5.34745 4.91634 8.95188 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 5.68392 8.83541 5.49245 5.34745 4.91634 5.19341 numMergedOcc 0
25 mol 233 unq 2 iso 0 dist 5.68392 7.55878 7.41379 5.34745 4.91634 5.3674 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 8.2748 8.4908 8.43114 7.96942 12.3766 8.23532 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 6.2587 6.38338 7.88871 8.70062 9.81184 4.26276 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 6.2587 6.38338 7.88871 9.919 12.6962 9.92609 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 6.2587 6.38338 7.88871 8.70062 9.81184 4.26276 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 6.2587 6.38338 7.88871 9.919 12.6962 9.92609 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 6.2587 6.38338 7.88871 8.70062 9.81184 4.26276 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 6.2587 6.38338 7.88871 9.919 12.6962 9.92609 numMergedOcc 0
