0 mol 58 unq 0 iso 0 dist 8.68381 8.98939 9.05877 8.26586 7.4999 6.0309 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.68381 8.98939 9.05877 9.76234 4.99692 11.5843 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.66549 8.64047 4.39271 6.24296 13.0679 12.7386 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.66549 8.64047 4.39271 6.83218 15.4283 14.1999 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.84466 8.21739 8.02579 9.43355 3.91263 4.97727 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.84466 8.21739 8.02579 5.64141 5.59024 5.77343 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.84466 8.21739 8.02579 5.46186 12.9872 11.0802 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.84466 4.78377 12.3147 9.43355 3.91263 13.8087 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.84466 4.78377 12.3147 5.64141 5.59024 9.96831 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.84466 4.78377 12.3147 5.46186 12.9872 5.33894 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 9.2948 8.21739 12.1011 9.43355 15.8131 4.97727 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 9.2948 8.21739 12.1011 5.64141 13.6266 5.77343 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 9.2948 8.21739 12.1011 5.46186 5.17052 11.0802 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 9.2948 4.78377 9.97789 9.43355 15.8131 13.8087 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 9.2948 4.78377 9.97789 5.64141 13.6266 9.96831 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 9.2948 4.78377 9.97789 5.46186 5.17052 5.33894 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 6.79564 9.67785 5.71094 6.6142 3.86836 5.14267 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 8.93916 7.01483 6.96543 8.10157 16.3583 12.5588 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 7.76856 9.476 13.7523 5.82174 9.35913 6.38538 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 7.76856 5.77288 13.4285 5.82174 9.35913 9.14584 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 8.53483 6.79048 9.81254 9.3066 12.2415 8.76577 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.45384 8.78339 6.10865 9.22792 14.8878 16.6117 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 7.45384 8.78339 6.10865 7.85696 12.1704 12.8276 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 7.45384 8.78339 6.10865 5.00402 10.8153 10.9737 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 7.45384 8.78339 6.10865 6.17773 7.87503 7.02093 numMergedOcc 0
25 mol 186 unq 4 iso 0 dist 4.85577 9.18314 9.52773 7.81696 3.85767 11.924 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.86805 7.92391 5.70666 9.1946 8.9784 7.38812 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.19213 6.69569 10.8341 9.98518 10.8866 13.2109 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 5.80664 6.69569 5.80218 9.98518 7.54288 13.2109 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.19213 6.69569 10.8341 9.98518 10.8866 13.2109 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 5.80664 6.69569 5.80218 9.98518 7.54288 13.2109 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.19213 6.69569 10.8341 9.98518 10.8866 13.2109 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 5.80664 6.69569 5.80218 9.98518 7.54288 13.2109 numMergedOcc 0
