0 mol 13 unq 0 iso 0 dist 7.71544 8.5226 6.49386 6.54276 4.43066 6.00107 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 5.96486 6.22059 3.55079 3.71228 5.73799 7.1229 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 5.96486 6.22059 3.55079 7.58448 8.38883 9.36388 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.97999 8.79457 11.3474 13.549 19.0425 8.90591 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 8.06034 8.12196 11.2738 3.82552 9.26141 5.64143 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.72434 7.46162 3.26359 10.9515 10.6814 9.40295 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 7.72434 7.46162 3.26359 11.5395 12.0103 9.49225 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.16999 9.91321 9.21978 6.4041 11.9437 6.81354 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.12336 6.31523 9.72036 11.5628 13.1452 5.47256 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 6.59532 9.65262 11.9861 6.12334 12.3434 8.77098 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.94201 8.00931 8.92781 7.24458 14.2007 8.77098 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 7.81168 5.14547 5.9319 5.93957 8.94341 8.25559 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 7.13496 8.72341 4.24863 12.6546 9.74779 6.44817 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 7.13496 8.72341 4.24863 8.54055 10.2635 9.36547 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.99496 7.03647 6.01175 6.04066 9.99149 6.23614 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 5.43053 7.50074 11.6181 9.59994 14.6235 9.0654 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 8.36393 7.81415 3.27256 3.77125 8.4275 8.47034 numMergedOcc 0
17 mol 283 unq 1 iso 0 dist 8.36393 7.81415 3.27256 8.36144 11.4884 8.57491 numMergedOcc 0
18 mol 286 unq 0 iso 0 dist 5.03123 8.95266 6.41589 13.6536 11.3038 9.2551 numMergedOcc 0
