0 mol 11 unq 0 iso 0 dist 9.76233 6.64342 6.84216 7.86632 9.89425 4.10106 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 8.66515 5.27699 7.42612 10.3134 8.27119 6.791 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 9.48239 6.85341 7.42612 10.4917 8.27119 6.791 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 7.30231 9.88653 9.1397 12.211 9.46349 5.67577 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.52145 5.27705 8.91596 12.2822 8.78511 10.7345 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 8.35776 10.2135 8.91596 4.64437 8.78511 10.7345 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 7.12713 13.6849 9.45756 6.51519 5.4713 12.3186 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.61831 5.66392 7.61521 6.2597 9.57759 4.09069 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.61514 12.3909 7.69926 10.6609 4.29937 6.92455 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.61514 12.3909 7.69926 11.2518 3.65628 7.01366 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 7.61514 12.3909 7.69926 13.5746 9.77774 14.8822 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 10.6609 5.37869 6.92455 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 11.2518 4.05415 7.01366 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 8.21116 12.3909 5.85237 13.5746 9.97944 14.8822 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 8.21116 17.1393 9.11768 10.6609 5.37869 8.32224 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 8.21116 17.1393 9.11768 11.2518 4.05415 6.15019 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 13.5746 9.97944 12.6518 numMergedOcc 0
17 mol 107 unq 0 iso 0 dist 4.99934 9.85159 9.45682 4.05182 5.31375 10.1994 numMergedOcc 0
18 mol 107 unq 1 iso 0 dist 4.99934 9.85159 9.45682 4.11617 6.49371 12.9752 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 6.66313 4.93421 4.80684 4.85157 4.55071 6.30721 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 6.66313 9.5414 7.60162 4.85157 4.55071 10.5082 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 6.3646 7.79347 4.80684 5.74561 4.55071 6.30721 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 6.3646 6.77381 7.60162 5.74561 4.55071 10.5082 numMergedOcc 0
23 mol 120 unq 0 iso 0 dist 7.64841 8.90504 8.38358 7.24685 9.98772 7.64591 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 6.91039 8.99682 8.64905 9.37902 6.60366 7.39837 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.19926 11.8143 5.90765 14.4294 8.92135 3.90244 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.3032 5.69334 9.52922 10.739 4.45769 10.0756 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 9.3032 5.69334 9.52922 16.8793 8.99961 16.4082 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 8.10451 13.5654 9.52922 5.22745 4.45769 10.0756 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 8.10451 13.5654 9.52922 4.77336 8.99961 16.4082 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 6.6747 11.1132 9.38984 5.22745 5.89939 13.9836 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 6.6747 11.1132 9.38984 4.77336 8.18853 13.9116 numMergedOcc 0
32 mol 194 unq 6 iso 0 dist 6.6747 14.0553 9.91118 5.22745 5.89939 15.5573 numMergedOcc 0
33 mol 194 unq 7 iso 0 dist 6.6747 14.0553 9.91118 4.77336 8.18853 16.1172 numMergedOcc 0
34 mol 194 unq 8 iso 0 dist 6.28412 7.69242 9.38984 12.1687 5.89939 13.9836 numMergedOcc 0
35 mol 194 unq 9 iso 0 dist 6.28412 7.69242 9.38984 13.0722 8.18853 13.9116 numMergedOcc 0
36 mol 194 unq 10 iso 0 dist 6.28412 5.16091 9.91118 12.1687 5.89939 15.5573 numMergedOcc 0
37 mol 194 unq 11 iso 0 dist 6.28412 5.16091 9.91118 13.0722 8.18853 16.1172 numMergedOcc 0
38 mol 198 unq 0 iso 0 dist 9.55667 5.11128 9.7657 11.3881 7.04521 12.1607 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 4.15692 7.00892 8.55044 8.3996 9.81261 12.2555 numMergedOcc 0
40 mol 278 unq 0 iso 0 dist 8.71708 11.9557 5.35705 4.13716 7.56691 10.0918 numMergedOcc 0
41 mol 278 unq 1 iso 0 dist 8.71708 7.70278 6.64378 4.13716 7.56691 6.48173 numMergedOcc 0
