0 mol 1 unq 0 iso 0 dist 9.12196 7.94662 7.73435 10.8992 11.6921 7.27254 13.3466 17.4663 12.7486 6.86701 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.82379 5.7531 7.12263 6.56356 8.64248 8.83742 10.9495 10.6335 7.17012 9.01112 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 5.7531 7.12263 6.56356 8.64248 8.83742 8.09332 11.7258 6.31881 7.62333 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.24978 4.88215 7.12263 11.865 8.64248 8.83742 6.94408 6.82379 5.7531 6.56356 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 6.24978 4.88215 7.12263 11.865 8.64248 8.83742 11.4134 10.6335 7.17012 9.01112 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 6.24978 4.88215 7.12263 11.865 8.64248 8.83742 11.0684 11.7258 6.31881 7.62333 numMergedOcc 0
6 mol 8 unq 5 iso 0 dist 9.66439 6.36434 7.12263 14.7257 8.64248 8.83742 11.2508 6.82379 5.7531 6.56356 numMergedOcc 0
7 mol 8 unq 6 iso 0 dist 9.66439 6.36434 7.12263 14.7257 8.64248 8.83742 10.4705 10.6335 7.17012 9.01112 numMergedOcc 0
8 mol 8 unq 7 iso 0 dist 9.66439 6.36434 7.12263 14.7257 8.64248 8.83742 11.8672 11.7258 6.31881 7.62333 numMergedOcc 0
9 mol 8 unq 8 iso 0 dist 7.3915 8.79272 7.12263 12.536 8.64248 8.83742 12.4076 6.82379 5.7531 6.56356 numMergedOcc 0
10 mol 8 unq 9 iso 0 dist 7.3915 8.79272 7.12263 12.536 8.64248 8.83742 8.4069 10.6335 7.17012 9.01112 numMergedOcc 0
11 mol 8 unq 10 iso 0 dist 7.3915 8.79272 7.12263 12.536 8.64248 8.83742 12.9016 11.7258 6.31881 7.62333 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 12.8359 8.17486 7.05919 9.76038 8.83269 3.98483 5.8245 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 7.83786 11.0493 9.38831 11.6516 4.47891 8.24948 7.05502 6.60423 6.58998 7.95042 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 4.93188 9.48345 9.40479 10.9113 9.57743 8.24948 11.4989 13.0257 6.58998 7.95042 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 4.93188 14.4162 9.58012 9.33482 5.11135 7.96195 12.3067 9.24958 10.0655 7.27472 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 9.24958 13.1456 9.40479 16.707 9.57743 8.24948 19.2131 13.0257 6.58998 7.95042 numMergedOcc 0
17 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 6.6263 4.55347 7.15901 8.13395 8.60739 5.48048 6.75943 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 6.75943 4.55347 7.15901 8.13395 9.93832 7.05402 6.6263 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.74857 7.3094 8.71286 11.8378 8.80697 8.4965 11.5723 10.0289 5.61704 6.04595 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.99857 4.99056 8.03035 6.99446 6.29394 9.57341 10.9871 14.6439 13.52 8.95212 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 7.99857 4.99056 8.03035 6.99446 6.29394 9.57341 4.85907 8.56342 3.78311 7.64052 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.56342 3.78311 8.03035 7.64052 6.29394 9.57341 9.93257 14.6439 13.52 8.95212 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 8.56342 3.78311 8.03035 7.64052 6.29394 9.57341 4.85907 7.99857 4.99056 6.99446 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 6.37542 3.78311 7.6968 7.64052 9.64502 9.57341 9.93257 12.8836 13.52 8.95212 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 6.37542 3.78311 7.6968 7.64052 9.64502 9.57341 4.85907 10.4631 4.99056 6.99446 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 6.59889 4.71678 7.1069 7.65448 8.28642 5.59336 6.70693 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 6.70693 4.71678 7.1069 7.65448 9.77552 7.2238 6.59889 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 10.4285 5.55763 6.09987 12.3721 11.3952 5.81236 6.41689 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 8.35555 7.78913 8.60521 10.4285 5.55763 6.09987 8.38114 11.2686 6.8161 9.07758 numMergedOcc 0
30 mol 152 unq 4 iso 0 dist 8.35555 5.70788 6.39031 10.4285 5.55763 6.92726 12.3721 11.3952 9.22869 6.41689 numMergedOcc 0
31 mol 152 unq 5 iso 0 dist 8.35555 5.70788 6.39031 10.4285 5.55763 6.92726 8.38114 11.2686 5.71767 9.07758 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 6.50998 6.35462 9.87668 13.3965 11.5332 16.6392 8.1945 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 5.23634 7.3164 9.43618 5.22356 5.4694 7.22396 6.91318 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 6.91318 7.3164 9.43618 5.22356 8.38865 10.5813 5.23634 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.66971 10.7508 9.89583 14.4013 13.0611 6.53286 20.8128 17.2012 11.0349 9.12776 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 6.66971 10.7508 9.89583 14.4013 13.0611 6.53286 10.0191 7.32982 10.7551 9.72188 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 6.4398 5.87253 9.89583 11.1002 13.0611 6.53286 16.2992 17.2012 11.0349 9.12776 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 6.4398 5.87253 9.89583 11.1002 13.0611 6.53286 10.1648 7.32982 10.7551 9.72188 numMergedOcc 0
39 mol 238 unq 4 iso 0 dist 7.32982 10.7551 9.89583 9.72188 13.0611 6.53286 15.7907 17.2012 11.0349 9.12776 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.90924 7.36132 7.14086 7.07277 12.2392 9.09085 5.90058 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 5.90924 7.36132 7.14086 8.96144 6.42588 10.1591 9.58916 numMergedOcc 0
42 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 9.58916 7.36132 7.14086 8.96144 7.52281 4.48907 5.90924 numMergedOcc 0
43 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 9.58916 7.36132 7.14086 14.3597 12.2392 9.09085 5.90058 numMergedOcc 0
44 mol 264 unq 4 iso 0 dist 6.04162 6.84156 5.74568 9.19754 5.82131 6.02757 4.92077 6.14323 9.37297 8.29262 numMergedOcc 0
45 mol 264 unq 5 iso 0 dist 6.14323 9.37297 5.74568 8.29262 5.82131 6.02757 4.92077 6.04162 6.84156 9.19754 numMergedOcc 0
