0 mol 14 unq 0 iso 0 dist 7.04966 9.55728 8.73627 5.68897 8.69369 5.38909 12.4371 9.18933 6.38364 10.7133 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 6.06561 8.67719 5.32694 10.8592 5.35079 6.31718 10.9143 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.88676 5.66097 5.84479 6.06561 8.67719 5.32694 7.46752 6.53177 7.63133 5.46498 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.88676 6.06561 8.67719 5.66097 5.84479 5.32694 7.46752 6.53177 5.46498 7.63133 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.27355 10.8067 9.68526 10.5627 7.26679 15.7123 10.392 8.31041 9.38498 9.96396 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.27355 10.8067 9.68526 17.4113 9.30776 13.7412 10.392 8.31041 9.38498 9.75218 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.27355 10.5627 7.26679 10.8067 9.68526 15.7123 10.392 8.31041 9.96396 9.38498 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.27355 10.5627 7.26679 10.8067 9.68526 15.7123 6.30194 5.44275 6.19304 10.2049 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.27355 10.5627 7.26679 10.8067 9.68526 15.7123 18.5427 11.2674 8.70481 20.257 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.27355 10.5627 7.26679 17.4113 9.30776 12.016 10.392 8.31041 9.96396 9.75218 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.27355 10.5627 7.26679 17.4113 9.30776 12.016 6.30194 5.44275 6.19304 11.6369 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.27355 10.5627 7.26679 17.4113 9.30776 12.016 18.5427 11.2674 8.70481 10.1207 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.27355 17.4113 9.30776 10.8067 9.68526 13.7412 10.392 8.31041 9.75218 9.38498 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.27355 17.4113 9.30776 10.5627 7.26679 12.016 10.392 8.31041 9.75218 9.96396 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 8.60363 10.8067 9.72442 16.3515 9.02288 17.8791 10.392 11.7069 9.38498 17.8376 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 9.27331 10.163 9.72442 12.3394 9.02288 17.8791 15.2052 11.7069 9.38498 17.8376 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 12.8701 9.74643 7 13.6568 5.5332 7.34473 8.58044 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 8.59182 12.4009 8.21889 5.95831 6.86702 8.40993 13.6568 5.5332 7.34473 9.97763 numMergedOcc 0
18 mol 109 unq 2 iso 0 dist 8.59182 12.8701 9.74643 12.4009 8.21889 7 13.6568 5.5332 8.58044 7.34473 numMergedOcc 0
19 mol 109 unq 3 iso 0 dist 8.59182 12.8701 9.74643 5.95831 6.86702 6.94915 13.6568 5.5332 8.58044 9.97763 numMergedOcc 0
20 mol 109 unq 4 iso 0 dist 8.59182 5.95831 6.86702 12.4009 8.21889 8.40993 13.6568 5.5332 9.97763 7.34473 numMergedOcc 0
21 mol 109 unq 5 iso 0 dist 8.59182 5.95831 6.86702 12.8701 9.74643 6.94915 13.6568 5.5332 9.97763 8.58044 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 5.31281 5.24877 8.42445 7.65733 7.25166 11.6284 9.24515 7.18757 7.5732 12.6649 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 6.03184 5.73338 5.08206 5.52686 9.57611 9.24932 12.3723 12.1783 9.0018 17.0633 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 6.03184 5.73338 5.08206 5.52686 9.57611 9.24932 6.73365 7.28617 5.6234 12.0591 numMergedOcc 0
25 mol 175 unq 2 iso 0 dist 6.03184 5.73338 5.08206 5.52686 9.57611 9.24932 9.45659 5.77256 6.57069 14.3157 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 12.5358 7.39839 5.0744 4.79841 5.41021 8.95269 9.99123 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 7.62593 11.4653 9.33771 12.5358 7.39839 5.0744 9.04374 4.91322 6.57273 6.60589 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 7.62593 11.4653 9.33771 12.5358 7.39839 5.0744 15.1903 12.979 5.78342 9.16166 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 7.62593 12.5358 7.39839 11.4653 9.33771 5.0744 14.7665 7.65225 6.65832 10.103 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 7.62593 12.5358 7.39839 11.4653 9.33771 5.0744 9.04374 4.91322 6.60589 6.57273 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 7.62593 12.5358 7.39839 11.4653 9.33771 5.0744 15.1903 12.979 9.16166 5.78342 numMergedOcc 0
32 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 10.2117 6.14348 4.06055 9.98232 5.3251 7.37839 8.40182 numMergedOcc 0
33 mol 231 unq 1 iso 0 dist 7.28719 10.2117 6.14348 10.9863 7.79865 4.06055 9.98232 5.3251 8.40182 7.37839 numMergedOcc 0
34 mol 231 unq 2 iso 0 dist 6.60684 8.54452 7.79865 6.95128 6.14348 4.06055 10.174 5.3251 7.37839 8.40182 numMergedOcc 0
35 mol 231 unq 3 iso 0 dist 6.60684 6.95128 6.14348 8.54452 7.79865 4.06055 10.174 5.3251 8.40182 7.37839 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 5.57184 9.76195 6.83152 7.01206 5.24313 5.42006 15.3066 10.8336 6.57393 11.101 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 5.57184 7.01206 5.24313 9.76195 6.83152 5.42006 13.8075 12.1448 7.31233 10.0756 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 6.28944 5.78121 8.34718 12.4678 6.6173 7.57994 11.7594 numMergedOcc 0
39 mol 249 unq 1 iso 0 dist 6.18866 12.5843 7.29898 6.28944 5.78121 8.34718 15.0782 8.95486 6.18582 12.2913 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 5.57797 6.09782 4.26007 10.3219 9.49027 6.97229 10.9661 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 16.6797 9.58006 4.69778 15.7201 7.55268 8.53687 10.5767 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 8.73077 13.6207 6.77279 16.6797 9.58006 4.69778 11.4871 5.71237 8.13497 7.88519 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 13.6207 6.77279 4.69778 11.4871 5.71237 7.88519 8.13497 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 13.6207 6.77279 4.69778 16.137 9.10984 7.84554 9.95973 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 8.73077 16.6797 9.58006 13.6207 6.77279 4.69778 16.2919 11.8501 7.46176 10.3935 numMergedOcc 0
46 mol 259 unq 5 iso 0 dist 8.73077 16.6797 9.58006 13.6207 6.77279 4.69778 21.7522 13.9868 9.18903 12.6839 numMergedOcc 0
47 mol 259 unq 6 iso 0 dist 6.76656 10.908 6.77279 12.7595 9.58006 4.69778 14.2826 7.55268 8.53687 10.5767 numMergedOcc 0
48 mol 259 unq 7 iso 0 dist 6.76656 10.908 6.77279 12.7595 9.58006 4.69778 6.96379 5.71237 8.13497 7.88519 numMergedOcc 0
49 mol 259 unq 8 iso 0 dist 6.76656 12.7595 9.58006 10.908 6.77279 4.69778 6.96379 5.71237 7.88519 8.13497 numMergedOcc 0
50 mol 259 unq 9 iso 0 dist 6.76656 12.7595 9.58006 10.908 6.77279 4.69778 11.7889 9.10984 7.84554 9.95973 numMergedOcc 0
51 mol 259 unq 10 iso 0 dist 6.76656 12.7595 9.58006 10.908 6.77279 4.69778 11.1532 11.8501 7.46176 10.3935 numMergedOcc 0
52 mol 259 unq 11 iso 0 dist 6.76656 12.7595 9.58006 10.908 6.77279 4.69778 17.4423 13.9868 9.18903 12.6839 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 11.3921 9.86142 5.34251 6.21831 6.57235 9.10818 13.0736 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 6.44266 6.98398 7.80446 6.99898 9.86142 5.34251 8.3291 6.57235 9.10818 13.0736 numMergedOcc 0
55 mol 277 unq 0 iso 0 dist 6.23539 7.44724 6.90434 6.13402 8.57532 12.7728 14.2462 13.2927 9.7748 19.7909 numMergedOcc 0
56 mol 277 unq 1 iso 0 dist 6.23539 7.44724 6.90434 6.16829 9.02914 7.08227 14.2462 13.2927 9.7748 16.3537 numMergedOcc 0
