0 mol 4 unq 0 iso 0 dist 8.15534 5.10085 6.66589 11.0566 4.70233 9.71908 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 5.10085 9.80478 11.0566 7.10738 9.71908 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.3613 7.16404 6.85305 12.7078 6.71226 6.87871 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.32436 5.40129 8.62769 6.53191 9.80109 5.38191 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.28075 5.63684 6.46655 9.92545 6.55138 6.48625 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.70037 4.59504 8.24121 9.2309 7.48749 9.74996 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 7.70037 6.09189 8.52371 9.2309 7.48749 8.21667 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 7.96207 15.5565 8.24121 13.2463 7.48749 9.74996 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 7.96207 11.3689 8.52371 13.2463 7.48749 8.21667 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 8.21588 7.2527 9.1329 7.67411 6.69874 8.50159 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 6.62798 7.2527 5.26938 7.67411 3.66319 8.50159 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 8.15104 8.89893 9.1329 13.1264 6.69874 8.50159 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 9.94718 8.89893 5.26938 13.1264 3.66319 8.50159 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 6.7095 5.26061 7.48277 5.15752 5.51997 9.43411 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 6.7095 8.90571 9.0361 8.63253 11.7098 9.01767 numMergedOcc 0
15 mol 102 unq 2 iso 0 dist 6.7095 8.90571 9.0361 5.15752 5.51997 9.80678 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 7.60412 8.36322 8.46734 15.3128 11.6409 8.21889 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.79014 5.23924 5.97879 10.7956 4.45081 8.64783 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.18707 4.82909 6.09472 11.5199 5.14617 6.86946 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.91786 4.82909 6.20658 11.5199 9.9398 6.86946 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 7.10839 4.9475 8.90592 8.32453 7.13388 5.46922 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 7.58683 9.28974 9.18691 5.25485 4.81215 5.46922 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 9.66794 7.74092 7.63268 9.8818 4.54544 6.02561 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 5.60195 12.0174 8.9077 18.1885 15.8912 7.31105 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 7.87359 9.89208 8.9077 14.6691 15.8912 7.31105 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.76741 7.39364 6.095 7.60093 11.1791 9.18675 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.53198 5.69797 7.93727 11.0197 7.49961 9.2433 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 8.36611 5.09075 7.15785 7.85381 6.13416 9.62828 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 7.29081 12.0564 6.54753 8.24507 4.62586 8.90885 numMergedOcc 0
