0 mol 15 unq 0 iso 0 dist 5.19544 5.70754 5.69755 7.42909 6.88546 5.68079 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 6.88374 9.54314 7.1742 4.44905 5.55574 6.89855 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 6.85867 8.56269 9.33803 5.53481 7.01545 11.2961 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 6.85867 9.40699 5.46401 5.53481 7.01545 5.6516 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.37888 5.48163 3.98877 6.18402 5.74593 4.91714 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.11438 7.29864 9.74373 11.011 5.74593 15.3677 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.11438 7.7399 3.98877 11.011 5.74593 4.91714 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 8.97237 7.8962 8.55758 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.4518 6.58814 5.73248 8.97237 7.8962 7.44027 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.4518 6.13459 13.5809 8.97237 7.8962 13.5236 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.4518 7.54391 14.149 8.97237 7.8962 12.962 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.25249 9.68556 3.61204 6.99582 7.48563 9.45257 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.41411 8.73928 3.61204 4.34199 7.48563 9.45257 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 7.6005 8.24233 4.13755 8.77017 8.03113 11.7697 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 7.6005 8.24233 4.13755 16.186 9.2638 11.3496 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.73484 8.03124 8.87094 9.39537 8.64019 13.0963 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 9.49761 8.46801 12.2606 3.93522 6.51968 10.8876 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 6.03154 8.46801 6.30769 3.93522 7.61237 10.8876 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.41073 8.76449 10.1443 7.75436 8.40219 14.6837 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 9.41073 8.36182 11.2502 7.75436 8.40219 14.6067 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.80819 6.81449 10.5863 14.6035 7.46919 14.1434 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.81665 6.87593 10.5688 14.6751 7.36989 14.1296 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.62191 8.29256 9.07662 4.72843 9.46973 9.92651 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 8.62191 7.8274 7.37577 4.72843 9.46973 11.7622 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.83422 9.67243 12.3471 9.592 9.25162 15.0291 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.34735 8.71119 6.06804 9.53082 8.64294 6.3093 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.34735 6.21648 8.66074 9.53082 8.64294 13.2133 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.4302 9.82105 3.96862 4.65989 8.64133 10.5841 numMergedOcc 0
