0 mol 1 unq 0 iso 0 dist 8.69605 6.2936 5.19589 10.7639 12.7289 7.83632 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.5937 9.78918 14.6638 8.32923 16.6413 7.82406 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.5937 6.80314 12.7368 8.32923 16.6413 9.877 numMergedOcc 0
3 mol 17 unq 2 iso 0 dist 7.34681 9.78918 16.9932 8.32923 13.7178 7.82406 numMergedOcc 0
4 mol 17 unq 3 iso 0 dist 7.34681 6.80314 13.5569 8.32923 13.7178 9.877 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 5.68492 5.1488 9.32552 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 6.12267 6.07108 6.56501 12.2982 14.7518 9.0008 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 6.12267 6.07108 6.56501 8.55107 14.0792 9.77887 numMergedOcc 0
8 mol 67 unq 2 iso 0 dist 8.27009 5.63802 6.56501 13.1761 14.7518 9.0008 numMergedOcc 0
9 mol 67 unq 3 iso 0 dist 8.27009 5.63802 6.56501 10.6102 14.0792 9.77887 numMergedOcc 0
10 mol 67 unq 4 iso 0 dist 5.80736 5.63802 4.53519 13.1761 11.3612 9.0008 numMergedOcc 0
11 mol 67 unq 5 iso 0 dist 5.80736 5.63802 4.53519 10.6102 13.148 9.77887 numMergedOcc 0
12 mol 67 unq 6 iso 0 dist 8.43162 6.07108 12.2002 12.2982 15.8603 9.0008 numMergedOcc 0
13 mol 67 unq 7 iso 0 dist 8.43162 6.07108 12.2002 8.55107 14.0549 9.77887 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 13.1044 6.96647 7.10439 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.58027 6.82707 12.5165 9.24886 15.5219 8.10446 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 4.34694 6.82707 10.5011 9.24886 12.8816 8.10446 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 8.64686 6.64915 13.4228 5.79235 12.2143 5.9249 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 7.57471 8.59105 4.99645 5.5768 9.53368 7.2268 numMergedOcc 0
19 mol 87 unq 1 iso 0 dist 7.57471 8.59105 4.99645 4.56692 6.54532 8.31175 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 6.53824 9.2638 10.5909 10.3223 12.0097 7.35992 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 6.53824 9.2638 10.5909 12.8624 11.7331 6.49383 numMergedOcc 0
22 mol 116 unq 2 iso 0 dist 6.61973 9.2638 6.2875 10.3223 9.49798 7.35992 numMergedOcc 0
23 mol 116 unq 3 iso 0 dist 6.61973 9.2638 6.2875 12.8624 8.31955 6.49383 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.57031 8.36723 6.65679 5.73251 9.93809 6.71555 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 9.88178 7.50264 13.5143 5.43722 10.5922 6.93279 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 6.43817 9.21934 8.73468 numMergedOcc 0
27 mol 148 unq 1 iso 0 dist 8.6953 7.46919 9.03832 6.43817 9.21934 9.73927 numMergedOcc 0
28 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 6.48058 9.13113 8.73558 numMergedOcc 0
29 mol 150 unq 1 iso 0 dist 8.65967 7.36989 9.0892 6.48058 9.13113 9.66129 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 7.27146 5.07761 4.80246 6.26251 11.8921 7.47932 numMergedOcc 0
31 mol 174 unq 1 iso 0 dist 6.25798 5.07761 9.44119 6.26251 12.0957 7.47932 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 10.2578 13.8845 5.4997 numMergedOcc 0
33 mol 188 unq 0 iso 0 dist 8.1907 6.20426 5.01686 9.12244 6.02957 9.33696 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 6.20044 9.23676 4.92804 5.64245 6.35305 7.10526 numMergedOcc 0
35 mol 204 unq 1 iso 0 dist 8.41232 9.23676 5.04697 5.64245 9.23348 7.10526 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 6.50756 8.32948 11.1785 6.68039 12.4163 6.78758 numMergedOcc 0
37 mol 254 unq 0 iso 0 dist 9.54511 7.00841 9.6988 9.65183 16.4228 8.94909 numMergedOcc 0
38 mol 256 unq 0 iso 0 dist 6.45473 9.65136 9.83915 5.34142 9.45135 7.48269 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 7.74965 4.87349 9.47092 5.83318 12.5557 6.61376 numMergedOcc 0
