0 mol 55 unq 0 iso 0 dist 5.12277 9.95691 9.56392 9.00169 5.85221 12.5908 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.12277 9.95691 9.56392 7.66306 8.11218 4.97078 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.51622 9.96382 6.33119 7.64945 7.72978 11.0586 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 8.51622 7.59416 10.1976 7.64945 7.72978 7.48786 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.93577 9.89618 11.498 6.17315 11.4628 8.89062 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 7.38568 4.75701 4.52556 7.63894 8.09188 8.89062 numMergedOcc 0
6 mol 90 unq 2 iso 0 dist 8.6767 9.89618 4.52556 6.17315 8.09188 8.89062 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.27541 9.10877 6.09816 8.21739 8.69953 8.29171 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.27541 9.10877 6.09816 4.78377 8.48621 12.7936 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 5.8711 5.45787 4.56297 6.72426 6.01373 9.53349 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.68841 7.42431 4.41283 5.61533 8.169 6.39411 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.61273 9.96969 4.79958 7.03509 5.73872 8.83173 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 7.55683 5.41229 6.96904 8.56251 6.72936 10.1489 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 7.55683 8.57378 7.57303 8.56251 6.72936 8.27339 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.52744 8.8508 8.70286 9.67802 7.74227 10.6098 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 5.52744 8.84116 9.06308 8.78339 5.98491 8.30702 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 5.52744 8.16369 11.7317 8.78339 5.98491 10.8841 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 6.52457 8.14191 4.78748 8.18935 9.46245 7.6257 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.69573 7.1704 10.3716 5.46263 13.2003 5.76687 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 9.69573 9.63837 13.86 5.46263 13.2003 6.76128 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 6.42515 5.59626 10.3716 9.27455 13.2003 5.76687 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 9.8581 5.59626 13.8682 9.27455 18.4209 5.76687 numMergedOcc 0
