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 13.3466 10.488 17.4663 12.7486 6.86701 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 12.4076 10.9634 6.82379 5.7531 6.56356 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 8.79272 11.2076 7.12263 12.536 7.12261 8.64248 8.83742 8.4069 9.62879 10.6335 7.17012 9.01112 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 8.79272 11.2076 7.12263 12.536 7.12261 8.64248 8.83742 12.9016 12.4058 11.7258 6.31881 7.62333 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 9.48345 11.2485 9.40479 10.9113 13.6174 9.57743 8.24948 11.4989 15.5324 13.0257 6.58998 7.95042 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 14.4162 11.9933 9.58012 9.33482 5.50396 5.11135 7.96195 12.3067 7.36323 9.24958 10.0655 7.27472 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.36323 9.24958 4.33963 13.1456 11.2485 9.40479 16.707 13.6174 9.57743 8.24948 19.2131 15.5324 13.0257 6.58998 7.95042 numMergedOcc 0
7 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 8.13395 10.5523 9.93832 7.05402 6.6263 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 7.05402 10.0649 7.31982 6.6263 5.41726 4.55347 7.15901 8.13395 6.20293 8.60739 5.48048 6.75943 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 5.48048 10.0649 7.31982 6.75943 5.41726 4.55347 7.15901 8.13395 8.80331 9.93832 7.05402 6.6263 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 5.48048 13.5072 7.31982 6.75943 10.0383 4.55347 7.15901 8.13395 14.7803 9.93832 7.05402 6.6263 numMergedOcc 0
11 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 11.5723 13.8473 10.0289 5.61704 6.04595 numMergedOcc 0
12 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 11.5723 7.30858 10.0289 5.61704 6.04595 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 7.64052 9.68677 6.29394 9.57341 9.93257 16.4353 14.6439 13.52 8.95212 numMergedOcc 0
14 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 4.85907 10.3704 7.99857 4.99056 6.99446 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.73993 6.37542 6.08167 3.78311 7.77116 7.6968 7.64052 9.68677 9.64502 9.57341 9.93257 16.4353 12.8836 13.52 8.95212 numMergedOcc 0
16 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 4.85907 10.3704 10.4631 4.99056 6.99446 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 4.99056 13.1741 8.03035 6.99446 6.20019 6.29394 9.57341 10.9871 13.9919 14.6439 13.52 8.95212 numMergedOcc 0
18 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 4.85907 12.6489 8.56342 3.78311 7.64052 numMergedOcc 0
19 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 7.65448 10.399 9.77552 7.2238 6.59889 numMergedOcc 0
20 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 12.3721 14.2459 11.3952 5.81236 6.41689 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 5.87555 8.35555 5.59336 7.78913 9.39331 8.60521 10.4285 9.84297 5.55763 6.09987 8.38114 12.6535 11.2686 6.8161 9.07758 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 10.4285 9.84297 5.55763 6.92726 12.3721 14.2459 11.3952 9.22869 6.41689 numMergedOcc 0
23 mol 152 unq 4 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 10.4285 9.84297 5.55763 6.92726 8.38114 12.6535 11.2686 5.71767 9.07758 numMergedOcc 0
24 mol 152 unq 5 iso 0 dist 8.87437 8.35555 10.9728 7.78913 13.5822 8.60521 10.4285 15.1669 5.55763 6.09987 12.3721 19.037 11.3952 5.81236 6.41689 numMergedOcc 0
25 mol 152 unq 6 iso 0 dist 8.87437 8.35555 10.9728 7.78913 13.5822 8.60521 10.4285 15.1669 5.55763 6.09987 8.38114 16.9348 11.2686 6.8161 9.07758 numMergedOcc 0
26 mol 152 unq 7 iso 0 dist 8.87437 8.35555 10.9728 5.70788 13.1536 6.39031 10.4285 15.1669 5.55763 6.92726 12.3721 19.037 11.3952 9.22869 6.41689 numMergedOcc 0
27 mol 152 unq 8 iso 0 dist 8.87437 8.35555 10.9728 5.70788 13.1536 6.39031 10.4285 15.1669 5.55763 6.92726 8.38114 16.9348 11.2686 5.71767 9.07758 numMergedOcc 0
28 mol 152 unq 9 iso 0 dist 8.56324 9.77552 9.35627 7.2238 10.4911 6.39031 6.59889 5.39112 4.71678 7.1069 7.65448 6.70283 8.28642 5.59336 6.70693 numMergedOcc 0
29 mol 152 unq 10 iso 0 dist 6.70283 8.28642 9.35627 5.59336 10.4911 6.39031 6.70693 5.39112 4.71678 7.1069 7.65448 8.56324 9.77552 7.2238 6.59889 numMergedOcc 0
30 mol 152 unq 11 iso 0 dist 8.67331 8.28642 11.2078 5.59336 13.0858 6.39031 6.70693 9.67475 4.71678 7.1069 7.65448 14.1618 9.77552 7.2238 6.59889 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 5.23634 5.0317 7.3164 9.43618 5.22356 8.65997 5.4694 7.22396 6.91318 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 6.91318 5.0317 7.3164 9.43618 5.22356 7.22101 8.38865 10.5813 5.23634 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 10.5813 12.2278 9.56257 5.23634 5.83175 7.3164 9.43618 5.22356 10.8157 5.4694 7.22396 6.91318 numMergedOcc 0
34 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 15.7907 14.6111 17.2012 11.0349 9.12776 numMergedOcc 0
35 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 4.92077 13.4025 6.04162 6.84156 9.19754 numMergedOcc 0
