0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 7.4817 9.12196 7.73435 4.50502 10.8992 7.27254 11.6921 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.00903 6.09918 7.94662 7.63941 12.0025 5.71995 4.50502 10.8992 7.27254 10.2632 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 11.0722 8.83269 5.55437 5.84314 5.8245 7.05919 8.17486 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 11.2106 13.0257 9.40479 5.11636 7.95042 8.24948 9.57743 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 5.97304 6.60423 9.38831 5.11636 7.95042 8.24948 4.47891 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.38394 6.72502 6.59374 11.2106 15.7639 9.40479 5.11636 10.9819 8.24948 9.57743 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.38394 6.72502 6.59374 5.97304 9.0934 9.38831 5.11636 10.9819 8.24948 4.47891 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 5.07458 6.66407 7.24352 4.69849 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 4.96926 6.75943 7.15901 4.55347 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 7.05402 10.0649 7.31982 10.8828 10.0168 7.24352 4.69849 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 5.48048 10.0649 7.31982 5.07458 10.0168 7.24352 4.69849 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 5.48048 13.5072 7.31982 5.07458 10.9975 7.24352 4.69849 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 7.21418 10.0289 8.71286 5.03039 6.04595 8.4965 8.80697 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 7.21418 10.9766 8.71286 5.03039 10.5599 8.4965 8.80697 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 7.21418 5.74857 8.71286 5.03039 11.8378 8.4965 8.80697 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 6.9194 12.31 9.6121 6.71103 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 9.68677 7.64052 9.57341 6.29394 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 6.9194 12.31 9.6121 12.4868 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 9.68677 7.64052 9.57341 9.64502 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 11.5688 16.4092 7.76594 8.57203 14.4508 6.78801 4.24991 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 15.7796 16.4092 7.76594 12.6005 14.4508 6.78801 4.24991 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 9.84297 10.4285 6.92726 5.55763 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.78913 9.39331 8.60521 4.94983 6.70693 7.1069 10.6183 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 4.94983 6.70693 7.1069 4.71678 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 7.78913 13.5822 8.60521 4.94983 10.4895 7.1069 10.6183 numMergedOcc 0
25 mol 152 unq 4 iso 0 dist 8.87437 8.35555 10.9728 5.70788 13.1536 6.39031 4.94983 10.4895 7.1069 4.71678 numMergedOcc 0
26 mol 152 unq 5 iso 0 dist 8.56324 9.77552 9.35627 7.2238 10.4911 6.39031 12.4535 14.437 6.92726 5.55763 numMergedOcc 0
27 mol 152 unq 6 iso 0 dist 6.70283 8.28642 9.35627 5.59336 10.4911 6.39031 9.84297 14.437 6.92726 5.55763 numMergedOcc 0
28 mol 152 unq 7 iso 0 dist 8.67331 8.28642 11.2078 5.59336 13.0858 6.39031 9.84297 15.2732 6.92726 5.55763 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 12.6058 17.9507 8.57801 13.0608 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 12.6058 17.9507 8.57801 11.868 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 11.0628 12.9778 9.56257 5.0317 10.7855 9.43618 7.3164 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 4.1511 9.91384 5.28771 11.2819 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 11.0628 8.38865 9.56257 5.0317 5.23634 9.43618 7.3164 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 4.69247 9.91384 5.28771 11.2819 numMergedOcc 0
35 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 11.0628 5.4694 9.56257 5.0317 6.91318 9.43618 7.3164 numMergedOcc 0
36 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 11.0628 13.9676 9.56257 5.0317 11.2661 9.43618 7.3164 numMergedOcc 0
37 mol 227 unq 6 iso 0 dist 7.55216 8.03442 9.69537 11.0628 16.9219 9.56257 5.0317 12.3663 9.43618 7.3164 numMergedOcc 0
38 mol 227 unq 7 iso 0 dist 7.09863 8.38865 12.9587 10.5813 12.2278 9.56257 4.1511 10.3016 5.28771 11.2819 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 8.1148 6.53679 11.056 6.28227 12.322 8.55481 5.6214 13.1298 5.9974 4.34126 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 8.1715 6.53679 5.23748 6.28227 12.2615 8.55481 5.6214 10.5687 5.9974 4.34126 numMergedOcc 0
41 mol 252 unq 2 iso 0 dist 8.33025 7.50201 11.056 5.25252 12.322 8.55481 7.40852 13.1298 5.9974 4.34126 numMergedOcc 0
42 mol 252 unq 3 iso 0 dist 9.2288 7.50201 5.23748 5.25252 12.2615 8.55481 7.40852 10.5687 5.9974 4.34126 numMergedOcc 0
43 mol 252 unq 4 iso 0 dist 7.19638 7.50201 7.63376 5.25252 6.86945 8.55481 7.40852 7.15764 5.9974 4.34126 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 9.37297 15.2775 5.74568 13.2035 19.5824 7.14086 7.36132 numMergedOcc 0
