0 mol 10 unq 0 iso 0 dist 8.50323 8.97985 3.96253 6.97549 9.76751 8.37646 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.50323 8.97985 3.96253 6.47424 5.66127 8.31255 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.03881 9.3808 9.70611 8.67915 5.88923 6.02154 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.16398 8.7452 4.84953 9.86131 6.68956 3.48199 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 6.16398 8.7452 4.84953 6.75985 3.26501 5.73949 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 6.16398 9.15081 5.86157 9.86131 6.68956 4.0452 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 6.16398 9.15081 5.86157 6.75985 3.26501 3.12382 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.67848 5.93561 4.28346 5.81859 12.5868 9.79375 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 9.67848 5.33967 9.50699 5.81859 12.5868 3.54756 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.42805 6.99944 7.72516 7.65919 6.03116 6.48852 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 9.42805 6.99944 7.72516 8.55413 9.45081 3.43966 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 6.49558 6.49766 7.20593 8.09682 8.56894 8.42496 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 6.49558 6.49766 7.20593 8.35926 3.21474 10.3919 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 6.49558 6.49766 7.20593 7.41568 9.94939 3.3389 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 5.89342 5.82174 3.39015 9.31914 8.35404 8.19035 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.4064 8.90926 8.69874 7.42696 3.07409 8.05795 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 6.4064 8.90926 8.69874 5.86468 9.86813 9.99712 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 6.4064 8.90926 8.69874 8.73302 6.87402 12.1721 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 7.17252 8.90926 8.27421 7.42696 8.40636 8.05795 numMergedOcc 0
19 mol 184 unq 4 iso 0 dist 7.17252 8.90926 8.27421 5.86468 6.13585 9.99712 numMergedOcc 0
20 mol 184 unq 5 iso 0 dist 7.17252 8.90926 8.27421 8.73302 4.1284 12.1721 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.00415 6.58055 5.65659 7.45508 5.98994 3.13463 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 8.00415 6.58055 5.65659 5.79883 11.6074 11.0087 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.0077 7.51385 8.57968 6.05363 3.39991 7.98095 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 8.0077 7.51385 8.57968 6.05363 3.39991 7.98095 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 8.0077 7.51385 8.57968 6.05363 3.39991 7.98095 numMergedOcc 0
