0 mol 20 unq 0 iso 0 dist 6.26206 5.45273 8.72342 7.5517 3.59314 8.26091 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.90592 4.21283 7.85986 9.65174 9.63925 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.36461 15.6099 7.85986 11.5255 9.63925 8.25818 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.15801 4.06864 8.0991 6.29842 6.35031 6.38866 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.15801 5.9339 9.95093 9.31883 9.92713 9.48125 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 9.63403 4.06864 8.80175 6.29842 5.50427 6.38866 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.59316 5.15398 6.28603 6.84514 3.50984 5.54472 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 7.59316 8.66294 8.80303 6.84514 3.50984 8.62369 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.59316 12.5266 7.11491 16.8318 11.6319 8.22812 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 7.59316 12.5266 7.11491 12.1949 5.39812 4.22002 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 7.59316 12.5266 7.11491 15.1948 8.55482 5.77855 numMergedOcc 0
11 mol 48 unq 5 iso 0 dist 7.59316 12.5266 7.11491 10.7969 3.59761 8.10774 numMergedOcc 0
12 mol 48 unq 6 iso 0 dist 7.59316 12.5266 7.11491 6.84514 3.50984 6.5241 numMergedOcc 0
13 mol 48 unq 7 iso 0 dist 7.51285 5.15603 5.73454 7.05619 3.65036 5.37439 numMergedOcc 0
14 mol 48 unq 8 iso 0 dist 7.51285 8.37489 8.2012 7.05619 3.65036 8.3714 numMergedOcc 0
15 mol 48 unq 9 iso 0 dist 7.51285 12.6408 7.1829 10.6906 3.60121 8.14245 numMergedOcc 0
16 mol 48 unq 10 iso 0 dist 7.51285 12.6408 7.1829 7.05619 3.65036 6.36817 numMergedOcc 0
17 mol 48 unq 11 iso 0 dist 7.51285 12.6408 7.1829 16.8291 11.611 8.0812 numMergedOcc 0
18 mol 48 unq 12 iso 0 dist 7.51285 12.6408 7.1829 12.1973 5.37655 4.17933 numMergedOcc 0
19 mol 48 unq 13 iso 0 dist 7.51285 12.6408 7.1829 15.0604 8.48119 5.54893 numMergedOcc 0
20 mol 48 unq 14 iso 0 dist 8.86698 8.08481 5.73454 10.689 3.65036 5.37439 numMergedOcc 0
21 mol 48 unq 15 iso 0 dist 8.86698 5.87913 8.2012 10.689 3.65036 8.3714 numMergedOcc 0
22 mol 48 unq 16 iso 0 dist 8.86698 9.01238 7.1829 10.4497 3.60121 8.14245 numMergedOcc 0
23 mol 48 unq 17 iso 0 dist 8.86698 9.01238 7.1829 10.689 3.65036 6.36817 numMergedOcc 0
24 mol 48 unq 18 iso 0 dist 8.86698 9.01238 7.1829 16.7779 11.611 8.0812 numMergedOcc 0
25 mol 48 unq 19 iso 0 dist 8.86698 9.01238 7.1829 10.5084 5.37655 4.17933 numMergedOcc 0
26 mol 48 unq 20 iso 0 dist 8.86698 9.01238 7.1829 13.0631 8.48119 5.54893 numMergedOcc 0
27 mol 79 unq 0 iso 0 dist 9.36156 11.6533 8.96069 14.6636 9.08423 4.15789 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 8.70863 14.1233 8.04853 12.217 5.22259 6.67137 numMergedOcc 0
29 mol 85 unq 1 iso 0 dist 8.70863 14.1233 8.04853 14.7286 7.66499 7.04244 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 9.05259 15.041 6.89071 17.1628 9.18008 8.10623 numMergedOcc 0
31 mol 92 unq 1 iso 0 dist 8.57827 5.19513 9.22418 7.87729 4.15826 8.55237 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 5.39061 4.9293 7.84546 4.48699 4.94367 7.53342 numMergedOcc 0
33 mol 131 unq 1 iso 0 dist 8.92828 16.0667 8.47526 13.01 4.60864 7.53342 numMergedOcc 0
34 mol 131 unq 2 iso 0 dist 5.44303 9.93041 8.47526 9.58379 4.60864 7.53342 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 9.78667 11.2139 4.92382 8.88454 3.80087 4.88514 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 8.47026 10.7006 4.92382 9.48581 3.80087 4.88514 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 6.95372 5.42311 7.2932 5.66207 4.5497 4.3855 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 7.46987 9.28201 8.72743 16.4753 14.2269 7.25595 numMergedOcc 0
39 mol 186 unq 1 iso 0 dist 7.46987 9.28201 8.72743 13.494 9.76301 9.94825 numMergedOcc 0
40 mol 193 unq 0 iso 0 dist 8.43187 5.43768 6.21262 11.2075 11.4882 8.30069 numMergedOcc 0
41 mol 193 unq 1 iso 0 dist 8.43187 5.43768 6.21262 10.3286 9.7301 8.83551 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 6.37788 8.68259 8.43182 5.13892 3.7326 5.10542 numMergedOcc 0
43 mol 194 unq 1 iso 0 dist 6.37788 8.68259 8.43182 5.78717 7.29209 4.68722 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 8.7028 9.38176 8.43182 8.2232 3.7326 5.10542 numMergedOcc 0
45 mol 194 unq 3 iso 0 dist 8.7028 9.38176 8.43182 10.3448 7.29209 4.68722 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 7.38566 9.61604 9.89191 15.5093 16.2332 9.64861 numMergedOcc 0
47 mol 253 unq 0 iso 0 dist 8.15091 4.30218 9.73723 6.3738 5.68255 8.66299 numMergedOcc 0
48 mol 260 unq 0 iso 0 dist 7.99521 5.42399 6.49413 4.64695 7.28821 8.62655 numMergedOcc 0
49 mol 260 unq 1 iso 0 dist 7.99521 10.39 6.12343 11.3234 3.60349 7.04263 numMergedOcc 0
50 mol 260 unq 2 iso 0 dist 7.99521 9.79316 4.52405 11.3234 3.60349 6.48099 numMergedOcc 0
51 mol 285 unq 0 iso 0 dist 6.74142 8.03918 8.79261 11.2478 8.78384 5.88958 numMergedOcc 0
52 mol 285 unq 1 iso 0 dist 6.74142 11.1127 9.99125 11.2478 8.78384 7.78121 numMergedOcc 0
