0 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 7.17012 11.2076 8.83742 10.6335 7.43529 8.64248 7.12263 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 3.98483 9.78006 7.05919 8.83269 11.0722 8.17486 5.55437 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 6.58998 10.7114 8.24948 13.0257 12.0003 9.57743 9.40479 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 7.95042 5.69214 6.58998 10.7114 8.24948 6.60423 6.00575 4.47891 9.38831 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 7.95042 5.11636 6.58998 6.72502 8.24948 13.0257 11.2106 9.57743 9.40479 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 7.95042 5.11636 6.58998 6.72502 8.24948 6.60423 5.97304 4.47891 9.38831 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.36323 7.27472 5.50396 10.0655 11.9933 7.96195 9.24958 4.33963 5.11135 9.58012 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.48048 8.44903 7.15901 8.60739 5.64171 4.55347 7.31982 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 5.73819 6.66407 5.07458 5.64171 8.60739 7.24352 8.44903 5.48048 4.69849 7.31982 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.80331 6.6263 5.41726 7.05402 10.0649 7.15901 9.93832 9.06158 4.55347 7.31982 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 6.20293 6.75943 5.41726 5.48048 10.0649 7.15901 8.60739 9.06158 4.55347 7.31982 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 8.93915 6.75943 10.0383 5.48048 13.5072 7.15901 8.60739 11.3891 4.55347 7.31982 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.30858 6.04595 5.03039 5.61704 5.72642 8.4965 10.0289 7.21418 8.80697 8.71286 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 3.78311 7.77116 9.57341 8.56342 4.91132 6.29394 8.03035 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 3.78311 7.77116 9.57341 6.37542 6.08167 9.64502 7.6968 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 4.99056 13.1741 9.57341 7.99857 7.61939 6.29394 8.03035 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 4.99056 13.1741 9.57341 10.4631 14.8299 9.64502 7.6968 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 13.52 12.6868 9.57341 14.6439 10.326 6.29394 8.03035 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 13.52 12.6868 9.57341 12.8836 11.0351 9.64502 7.6968 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 10.8441 13.4668 8.68663 8.41611 12.7056 6.16103 5.73236 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 5.59336 8.35555 7.1069 9.39331 7.78913 10.6183 8.60521 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 5.87555 6.70693 4.94983 5.59336 8.35555 7.1069 8.28642 5.70788 4.71678 6.39031 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.56324 6.59889 5.39112 7.2238 10.4911 7.1069 14.7746 12.9816 10.6183 8.60521 numMergedOcc 0
23 mol 152 unq 3 iso 0 dist 8.56324 6.59889 5.39112 7.2238 10.4911 7.1069 9.77552 9.35627 4.71678 6.39031 numMergedOcc 0
24 mol 152 unq 4 iso 0 dist 6.70283 6.70693 5.39112 5.59336 10.4911 7.1069 9.39331 12.9816 10.6183 8.60521 numMergedOcc 0
25 mol 152 unq 5 iso 0 dist 6.70283 6.70693 5.39112 5.59336 10.4911 7.1069 8.28642 9.35627 4.71678 6.39031 numMergedOcc 0
26 mol 152 unq 6 iso 0 dist 8.67331 6.70693 9.67475 5.59336 13.0858 7.1069 9.39331 11.2503 10.6183 8.60521 numMergedOcc 0
27 mol 152 unq 7 iso 0 dist 8.67331 6.70693 9.67475 5.59336 13.0858 7.1069 8.28642 11.2078 4.71678 6.39031 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 8.38865 11.0628 7.3164 9.56257 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 5.4694 11.0628 7.3164 9.56257 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 8.38865 12.9587 7.3164 9.56257 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 10.7551 11.2809 6.53286 7.32982 12.3808 13.0611 9.89583 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 11.0349 11.9624 6.53286 17.2012 20.9702 13.0611 9.89583 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 7.63376 7.50201 5.9974 6.86945 5.25252 4.34126 8.55481 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 9.37297 15.2775 6.02757 6.14323 13.0621 5.82131 5.74568 numMergedOcc 0
