0 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 9.40644 8.74683 5.43494 10.6637 14.2843 9.79657 11.7677 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 9.75299 8.49962 4.78627 7.59945 10.9115 5.45684 7.66372 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 7.8986 8.52643 7.05519 9.75299 8.49962 4.78627 13.3239 14.6782 7.76644 9.99743 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 7.8986 9.75299 8.49962 8.52643 7.05519 4.78627 7.59945 10.9115 7.66372 5.45684 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 7.8986 9.75299 8.49962 8.52643 7.05519 4.78627 13.3239 14.6782 9.99743 7.76644 numMergedOcc 0
5 mol 64 unq 4 iso 0 dist 7.24183 5.41357 7.05519 9.30042 8.49962 4.78627 5.65551 10.9115 5.45684 7.66372 numMergedOcc 0
6 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 9.30042 8.49962 4.78627 9.81422 14.6782 7.76644 9.99743 numMergedOcc 0
7 mol 64 unq 6 iso 0 dist 7.24183 9.30042 8.49962 5.41357 7.05519 4.78627 5.65551 10.9115 7.66372 5.45684 numMergedOcc 0
8 mol 64 unq 7 iso 0 dist 7.24183 9.30042 8.49962 5.41357 7.05519 4.78627 9.81422 14.6782 9.99743 7.76644 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 9.47045 9.95663 8.96403 15.0455 12.6772 8.08507 14.4663 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.92936 7.48556 4.97519 8.68218 6.87319 7.99821 15.0455 12.6772 8.08507 14.7716 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 9.9171 8.53976 5.17212 5.00766 9.74209 6.55217 7.21686 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 8.05043 9.9171 8.53976 7.60956 4.8476 5.17212 5.00766 9.74209 7.21686 6.55217 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 8.29364 6.39127 5.77399 4.92164 9.82833 9.84649 11.5589 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 8.72949 8.01622 10.4327 11.315 13.7617 9.60838 18.9497 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 8.3453 5.1366 6.63296 6.16078 7.72242 5.83093 11.2722 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 8.6368 13.4455 11.0459 8.17619 15.6379 9.57625 8.08702 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 5.25149 10.1832 11.0459 7.36665 10.181 9.984 12.5698 numMergedOcc 0
18 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 5.25149 10.1832 11.0459 8.17619 15.6379 8.08702 9.57625 numMergedOcc 0
19 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 8.6368 8.70221 11.0459 8.17619 13.5453 9.57625 8.08702 numMergedOcc 0
20 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 5.25149 9.96224 11.0459 7.36665 9.74776 9.984 12.5698 numMergedOcc 0
21 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 5.25149 9.96224 11.0459 8.17619 13.5453 8.08702 9.57625 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 8.87456 8.36102 4.71901 4.68566 9.86372 7.96628 7.76053 numMergedOcc 0
23 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 6.97426 4.73988 4.71901 4.68566 9.86372 7.76053 7.96628 numMergedOcc 0
24 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 6.97426 4.73988 4.71901 11.1044 15.8519 9.65728 12.8908 numMergedOcc 0
25 mol 223 unq 3 iso 0 dist 9.14789 6.97426 4.78255 8.87456 5.43913 4.71901 4.68566 7.70946 7.96628 7.76053 numMergedOcc 0
26 mol 223 unq 4 iso 0 dist 9.14789 8.87456 5.43913 6.97426 4.78255 4.71901 4.68566 7.70946 7.76053 7.96628 numMergedOcc 0
27 mol 223 unq 5 iso 0 dist 9.14789 8.87456 5.43913 6.97426 4.78255 4.71901 11.1044 12.2562 9.65728 12.8908 numMergedOcc 0
28 mol 223 unq 6 iso 0 dist 7.80764 6.97426 12.6805 8.87456 13.9763 4.71901 4.68566 11.3699 7.96628 7.76053 numMergedOcc 0
29 mol 223 unq 7 iso 0 dist 7.80764 8.87456 13.9763 6.97426 12.6805 4.71901 4.68566 11.3699 7.76053 7.96628 numMergedOcc 0
30 mol 223 unq 8 iso 0 dist 7.80764 8.87456 13.9763 6.97426 12.6805 4.71901 11.1044 14.6013 9.65728 12.8908 numMergedOcc 0
31 mol 223 unq 9 iso 0 dist 5.75896 6.97426 10.6184 8.87456 13.8469 4.71901 4.68566 10.1945 7.96628 7.76053 numMergedOcc 0
32 mol 223 unq 10 iso 0 dist 5.75896 8.87456 13.8469 6.97426 10.6184 4.71901 4.68566 10.1945 7.76053 7.96628 numMergedOcc 0
33 mol 223 unq 11 iso 0 dist 5.75896 8.87456 13.8469 6.97426 10.6184 4.71901 11.1044 16.5446 9.65728 12.8908 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 8.86185 8.20191 15.9311 13.3781 18.3166 7.449 20.3692 numMergedOcc 0
35 mol 239 unq 1 iso 0 dist 6.00654 9.01071 12.178 8.86185 8.20191 15.9311 14.2324 18.9073 8.98789 22.4527 numMergedOcc 0
36 mol 239 unq 2 iso 0 dist 6.00654 8.86185 8.20191 9.01071 12.178 15.9311 10.1043 8.78008 7.80073 18.9779 numMergedOcc 0
37 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 7.43391 4.69664 12.5222 8.64762 13.0526 6.2667 14.0376 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 8.00386 10.9665 6.79958 6.13333 6.04688 5.70674 10.464 numMergedOcc 0
39 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 8.00386 5.52082 6.79958 6.13333 9.50034 5.70674 10.464 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 7.25618 11.0025 5.31174 5.79358 10.9114 8.73425 9.65711 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 8.10903 10.8957 5.31174 5.79358 10.9114 9.65711 8.73425 numMergedOcc 0
42 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 7.25618 9.46467 5.31174 5.79358 6.59521 8.73425 9.65711 numMergedOcc 0
43 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 8.10903 5.27718 5.31174 5.79358 6.59521 9.65711 8.73425 numMergedOcc 0
44 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 9.72159 4.97878 10.4196 5.03102 11.7325 9.38192 12.9617 numMergedOcc 0
45 mol 261 unq 1 iso 0 dist 9.70222 4.85199 10.6318 9.72159 4.97878 10.4196 6.40309 13.5235 6.99444 11.0021 numMergedOcc 0
46 mol 261 unq 2 iso 0 dist 9.71882 9.13604 10.6318 6.89731 4.97878 10.4196 9.37836 11.7325 9.38192 12.9617 numMergedOcc 0
47 mol 261 unq 3 iso 0 dist 9.71882 9.13604 10.6318 6.89731 4.97878 10.4196 5.91745 13.5235 6.99444 11.0021 numMergedOcc 0
48 mol 261 unq 4 iso 0 dist 9.71882 9.13604 10.6318 9.85607 9.35886 10.8346 9.37836 11.7325 9.38192 16.7353 numMergedOcc 0
49 mol 261 unq 5 iso 0 dist 9.71882 9.13604 10.6318 9.85607 9.35886 10.8346 5.91745 13.5235 6.99444 11.436 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 9.98886 4.68809 10.6828 6.38947 12.7565 6.51248 11.7298 numMergedOcc 0
51 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 6.81887 4.68809 10.6828 5.98603 12.7565 6.51248 11.7298 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 7.43524 13.2902 9.84741 13.972 numMergedOcc 0
53 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 14.0575 16.044 8.5458 13.9195 numMergedOcc 0
54 mol 287 unq 2 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 10.6005 15.8403 8.56533 11.3395 numMergedOcc 0
55 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 7.43524 13.2902 9.84741 13.972 numMergedOcc 0
56 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 14.0575 16.044 8.5458 13.9195 numMergedOcc 0
57 mol 288 unq 2 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 10.6005 15.8403 8.56533 11.3395 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 7.43524 13.2902 9.84741 13.972 numMergedOcc 0
59 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 14.0575 16.044 8.5458 13.9195 numMergedOcc 0
60 mol 289 unq 2 iso 0 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 10.6005 15.8403 8.56533 11.3395 numMergedOcc 0
