0 mol 1 unq 0 iso 0 dist 9.00903 9.12196 7.4817 7.94662 6.09918 7.73435 10.8992 4.50502 11.6921 7.27254 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 8.79272 11.2076 7.12263 12.536 7.12261 8.64248 8.83742 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 6.58998 10.7114 9.38831 7.95042 5.69214 4.47891 8.24948 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 7.95042 5.11636 4.47891 8.24948 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 9.48345 11.2485 9.40479 10.9113 13.6174 9.57743 8.24948 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 14.4162 11.9933 9.58012 9.33482 5.50396 5.11135 7.96195 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.36323 9.24958 4.33963 13.1456 11.2485 9.40479 16.707 13.6174 9.57743 8.24948 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 10.0655 11.9933 9.58012 7.27472 5.50396 5.11135 7.96195 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 6.75943 4.96926 4.55347 7.15901 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 6.66407 5.07458 4.69849 7.24352 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 7.05402 10.0649 7.31982 6.6263 5.41726 4.55347 7.15901 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 5.48048 10.0649 7.31982 6.75943 5.41726 4.55347 7.15901 numMergedOcc 0
12 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 5.48048 13.5072 7.31982 6.75943 10.0383 4.55347 7.15901 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.11741 5.74857 6.08806 7.3094 10.9734 8.71286 11.8378 11.1447 8.80697 8.4965 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.88312 5.74857 7.21418 7.3094 5.72642 8.71286 11.8378 5.03039 8.80697 8.4965 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 12.31 6.9194 6.71103 9.6121 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 7.64052 9.68677 6.29394 9.57341 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.73993 6.37542 6.08167 3.78311 7.77116 7.6968 12.31 6.9194 12.4868 9.6121 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 8.73993 6.37542 6.08167 3.78311 7.77116 7.6968 7.64052 9.68677 9.64502 9.57341 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 4.99056 13.1741 8.03035 11.2897 12.4621 6.71103 9.6121 numMergedOcc 0
20 mol 119 unq 5 iso 0 dist 9.87172 7.99857 7.61939 4.99056 13.1741 8.03035 6.99446 6.20019 6.29394 9.57341 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 10.8441 13.4668 5.73236 13.8345 16.3363 6.55089 7.16698 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 10.8441 13.4668 5.73236 5.40637 7.39837 6.16103 8.68663 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 6.70693 4.94983 4.71678 7.1069 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.78913 9.39331 8.60521 10.4285 9.84297 5.55763 6.09987 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 10.4285 9.84297 5.55763 6.92726 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 7.78913 13.5822 8.60521 10.4285 15.1669 5.55763 6.09987 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 8.87437 8.35555 10.9728 5.70788 13.1536 6.39031 10.4285 15.1669 5.55763 6.92726 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 8.56324 9.77552 9.35627 7.2238 10.4911 6.39031 6.59889 5.39112 4.71678 7.1069 numMergedOcc 0
29 mol 152 unq 6 iso 0 dist 6.70283 8.28642 9.35627 5.59336 10.4911 6.39031 6.70693 5.39112 4.71678 7.1069 numMergedOcc 0
30 mol 152 unq 7 iso 0 dist 8.67331 8.28642 11.2078 5.59336 13.0858 6.39031 6.70693 9.67475 4.71678 7.1069 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 12.7155 15.9107 7.55358 19.553 21.5459 13.0608 8.57801 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 8.87694 6.85302 8.90184 9.97575 15.9107 7.55358 17.9507 21.5459 13.0608 8.57801 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 8.87694 9.98215 12.8303 9.97575 15.9107 7.60991 17.9507 21.5459 11.868 8.57801 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 9.09754 6.85302 4.37002 9.97575 8.64409 7.55358 17.9507 12.6058 13.0608 8.57801 numMergedOcc 0
35 mol 186 unq 4 iso 0 dist 9.09754 9.98215 4.64235 9.97575 8.64409 7.60991 17.9507 12.6058 11.868 8.57801 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 11.0628 12.9778 9.56257 9.91384 10.012 11.2819 5.28771 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 5.23634 5.0317 7.3164 9.43618 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 11.0628 8.38865 9.56257 9.91384 4.1511 11.2819 5.28771 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 6.91318 5.0317 7.3164 9.43618 numMergedOcc 0
40 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 11.0628 5.4694 9.56257 9.91384 4.69247 11.2819 5.28771 numMergedOcc 0
41 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 11.0628 13.9676 9.56257 9.91384 13.4494 11.2819 5.28771 numMergedOcc 0
42 mol 227 unq 6 iso 0 dist 7.55216 8.03442 9.69537 11.0628 16.9219 9.56257 9.91384 15.7786 11.2819 5.28771 numMergedOcc 0
43 mol 227 unq 7 iso 0 dist 7.09863 8.38865 12.9587 10.5813 12.2278 9.56257 5.23634 5.83175 7.3164 9.43618 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.7551 11.2809 9.89583 9.72188 7.06793 13.0611 6.53286 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.63376 7.50201 8.55481 7.15764 7.40852 4.34126 5.9974 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 9.37297 15.2775 5.74568 8.29262 10.7813 5.82131 6.02757 numMergedOcc 0
47 mol 264 unq 1 iso 0 dist 9.17653 6.14323 13.0621 9.37297 15.2775 5.74568 13.4196 14.66 9.58444 8.67231 numMergedOcc 0
