0 mol 8 unq 0 iso 0 dist 6.56356 10.9495 9.01112 5.7531 8.83742 7.17012 6.82379 8.64248 10.6335 7.12263 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.01112 10.9495 6.56356 7.17012 8.83742 5.7531 10.6335 8.64248 6.82379 7.12263 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.56356 8.09332 7.62333 5.7531 8.83742 6.31881 6.82379 8.64248 11.7258 7.12263 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 7.62333 8.09332 6.56356 6.31881 8.83742 5.7531 11.7258 8.64248 6.82379 7.12263 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.01112 6.23795 7.62333 7.17012 8.83742 6.31881 10.6335 8.64248 11.7258 7.12263 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 7.62333 6.23795 9.01112 6.31881 8.83742 7.17012 11.7258 8.64248 10.6335 7.12263 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.6263 8.13395 6.75943 7.05402 7.15901 5.48048 9.93832 4.55347 8.60739 7.31982 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 6.75943 8.13395 6.6263 5.48048 7.15901 7.05402 8.60739 4.55347 9.93832 7.31982 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 9.16718 5.68291 7.94633 7.33596 7.44838 8.22667 14.4953 9.02856 15.0224 8.44437 numMergedOcc 0
9 mol 105 unq 0 iso 1 dist 7.94633 5.68291 9.16718 8.22667 7.44838 7.33596 15.0224 9.02856 14.4953 8.44437 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 13.52 9.57341 4.99056 14.6439 6.29394 7.99857 8.03035 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 4.99056 9.57341 13.52 7.99857 6.29394 14.6439 8.03035 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.95212 10.9871 6.99446 13.52 9.57341 4.99056 12.8836 9.64502 10.4631 7.6968 numMergedOcc 0
13 mol 119 unq 1 iso 1 dist 6.99446 10.9871 8.95212 4.99056 9.57341 13.52 10.4631 9.64502 12.8836 7.6968 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.95212 9.93257 7.64052 13.52 9.57341 3.78311 14.6439 6.29394 8.56342 8.03035 numMergedOcc 0
15 mol 119 unq 2 iso 1 dist 7.64052 9.93257 8.95212 3.78311 9.57341 13.52 8.56342 6.29394 14.6439 8.03035 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.95212 9.93257 7.64052 13.52 9.57341 3.78311 12.8836 9.64502 6.37542 7.6968 numMergedOcc 0
17 mol 119 unq 3 iso 1 dist 7.64052 9.93257 8.95212 3.78311 9.57341 13.52 6.37542 9.64502 12.8836 7.6968 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 6.99446 4.85907 7.64052 4.99056 9.57341 3.78311 7.99857 6.29394 8.56342 8.03035 numMergedOcc 0
19 mol 119 unq 2 iso 1 dist 7.64052 4.85907 6.99446 3.78311 9.57341 4.99056 8.56342 6.29394 7.99857 8.03035 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 6.99446 4.85907 7.64052 4.99056 9.57341 3.78311 10.4631 9.64502 6.37542 7.6968 numMergedOcc 0
21 mol 119 unq 3 iso 1 dist 7.64052 4.85907 6.99446 3.78311 9.57341 4.99056 6.37542 9.64502 10.4631 7.6968 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 6.41689 6.8016 9.07758 5.81236 6.09987 6.8161 11.3952 5.55763 11.2686 8.60521 numMergedOcc 0
23 mol 152 unq 0 iso 1 dist 9.07758 6.8016 6.41689 6.8161 6.09987 5.81236 11.2686 5.55763 11.3952 8.60521 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 6.41689 6.8016 9.07758 9.22869 6.92726 5.71767 11.3952 5.55763 11.2686 6.39031 numMergedOcc 0
25 mol 152 unq 1 iso 1 dist 9.07758 6.8016 6.41689 5.71767 6.92726 9.22869 11.2686 5.55763 11.3952 6.39031 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 6.59889 7.65448 6.70693 7.2238 7.1069 5.59336 14.7746 10.6183 9.39331 8.60521 numMergedOcc 0
27 mol 152 unq 2 iso 1 dist 6.70693 7.65448 6.59889 5.59336 7.1069 7.2238 9.39331 10.6183 14.7746 8.60521 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 6.59889 7.65448 6.70693 7.2238 7.1069 5.59336 9.77552 4.71678 8.28642 6.39031 numMergedOcc 0
29 mol 152 unq 3 iso 1 dist 6.70693 7.65448 6.59889 5.59336 7.1069 7.2238 8.28642 4.71678 9.77552 6.39031 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 16.6392 9.87668 4.76151 11.5332 6.35462 6.6561 6.53728 numMergedOcc 0
31 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 4.76151 9.87668 16.6392 6.6561 6.35462 11.5332 6.53728 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 5.23634 5.22356 6.91318 10.5813 9.43618 7.22396 8.38865 7.3164 5.4694 9.56257 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 6.91318 5.22356 5.23634 7.22396 9.43618 10.5813 5.4694 7.3164 8.38865 9.56257 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.12776 15.7907 9.72188 11.0349 6.53286 10.7551 17.2012 13.0611 7.32982 9.89583 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 9.72188 15.7907 9.12776 10.7551 6.53286 11.0349 7.32982 13.0611 17.2012 9.89583 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 5.90924 7.07277 5.90058 4.48907 7.14086 9.09085 7.52281 7.36132 12.2392 5.74568 numMergedOcc 0
37 mol 264 unq 0 iso 1 dist 5.90058 7.07277 5.90924 9.09085 7.14086 4.48907 12.2392 7.36132 7.52281 5.74568 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 5.90924 8.96144 9.58916 4.48907 7.14086 10.1591 7.52281 7.36132 6.42588 5.74568 numMergedOcc 0
39 mol 264 unq 1 iso 1 dist 9.58916 8.96144 5.90924 10.1591 7.14086 4.48907 6.42588 7.36132 7.52281 5.74568 numMergedOcc 0
40 mol 264 unq 1 iso 0 dist 5.90058 14.3597 9.58916 9.09085 7.14086 10.1591 12.2392 7.36132 6.42588 5.74568 numMergedOcc 0
41 mol 264 unq 1 iso 1 dist 9.58916 14.3597 5.90058 10.1591 7.14086 9.09085 6.42588 7.36132 12.2392 5.74568 numMergedOcc 0
42 mol 264 unq 2 iso 0 dist 9.19754 4.92077 8.29262 6.84156 6.02757 9.37297 6.04162 5.82131 6.14323 5.74568 numMergedOcc 0
43 mol 264 unq 2 iso 1 dist 8.29262 4.92077 9.19754 9.37297 6.02757 6.84156 6.14323 5.82131 6.04162 5.74568 numMergedOcc 0
44 mol 284 unq 0 iso 0 dist 9.19921 5.10183 6.41303 10.8266 8.63754 8.63375 13.9691 5.69778 10.4342 7.97588 numMergedOcc 0
45 mol 284 unq 0 iso 1 dist 6.41303 5.10183 9.19921 8.63375 8.63754 10.8266 10.4342 5.69778 13.9691 7.97588 numMergedOcc 0
