0 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 12.4655 7.75295 5.09224 5.86191 6.2676 9.22034 6.81798 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 7.96384 7.75295 5.09224 8.21791 6.2676 9.22034 6.81798 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 6.41591 7.62738 14.6243 13.1036 7.69861 8.96557 13.0054 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 9.55939 7.62738 14.6243 7.16384 7.69861 8.96557 13.0054 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 15.2909 8.8562 7.20179 15.9454 9.6121 6.9194 12.8661 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 15.2909 8.8562 7.20179 17.7274 9.57341 9.68677 5.37917 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 8.84146 13.7656 7.77116 4.96177 7.91683 9.89358 15.9454 9.6121 6.9194 13.3563 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 8.84146 13.7656 7.77116 4.96177 7.91683 9.89358 17.7274 9.57341 9.68677 15.7711 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 8.31794 5.94233 6.0268 5.11016 8.66815 10.7549 5.50104 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 7.68174 13.9162 9.46588 9.33341 8.56219 8.01268 5.11016 8.66815 10.7549 7.02562 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.24115 13.5328 7.88319 9.21335 6.76055 6.4079 4.87865 6.11331 13.7172 11.3715 numMergedOcc 0
11 mol 158 unq 1 iso 0 dist 7.24115 13.5328 7.88319 13.1807 9.36343 4.25067 4.87865 6.11331 13.7172 14.1217 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 5.80701 7.46987 9.74148 10.2673 8.57801 6.89047 6.18065 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 5.80701 7.46987 7.30024 10.2673 8.57801 3.90244 6.18065 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 5.80701 7.46987 11.6919 10.2673 8.57801 12.6058 6.18065 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 4.97005 6.69897 7.60202 5.80701 7.46987 5.3967 10.2673 8.57801 7.21555 6.18065 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 4.44921 5.68348 11.6598 5.39223 5.53324 10.0756 4.002 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 4.44921 5.68348 11.6598 11.8568 6.72182 11.8031 7.41775 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 4.44921 5.68348 12.0887 5.39223 5.53324 10.2793 4.002 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 4.44921 5.68348 12.0887 11.8568 6.72182 9.09233 7.41775 numMergedOcc 0
20 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 4.44921 5.68348 7.11753 5.39223 5.53324 10.463 4.002 numMergedOcc 0
21 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 4.44921 5.68348 7.11753 11.8568 6.72182 4.66791 7.41775 numMergedOcc 0
22 mol 194 unq 6 iso 0 dist 8.63008 16.6746 8.2654 4.44921 5.68348 12.8755 5.39223 5.53324 12.8494 4.002 numMergedOcc 0
23 mol 194 unq 7 iso 0 dist 8.63008 16.6746 8.2654 4.44921 5.68348 12.8755 11.8568 6.72182 7.73551 7.41775 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 9.05206 8.99603 7.63018 11.9731 5.57779 5.85636 4.86533 9.14831 11.3763 12.2656 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 9.05206 8.99603 7.63018 10.4089 7.05649 10.0337 4.86533 9.14831 11.3763 7.76842 numMergedOcc 0
26 mol 210 unq 2 iso 0 dist 9.05206 8.99603 7.63018 4.78637 6.78579 7.67559 4.86533 9.14831 11.3763 3.93305 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 9.04499 15.0199 9.2581 13.0565 9.08955 5.89689 12.9462 7.97027 9.01393 4.67663 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 9.04499 15.0199 9.2581 13.0565 9.08955 5.89689 11.0561 6.81955 6.25425 9.32357 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 9.04499 15.0199 9.2581 13.0565 9.08955 5.89689 9.50604 4.9876 5.64455 6.37382 numMergedOcc 0
30 mol 222 unq 3 iso 0 dist 9.04499 15.0199 9.2581 15.9525 8.88664 8.92719 12.9462 7.97027 9.01393 4.00869 numMergedOcc 0
31 mol 222 unq 4 iso 0 dist 9.04499 15.0199 9.2581 15.9525 8.88664 8.92719 11.0561 6.81955 6.25425 12.2233 numMergedOcc 0
32 mol 222 unq 5 iso 0 dist 9.04499 15.0199 9.2581 15.9525 8.88664 8.92719 9.50604 4.9876 5.64455 9.60662 numMergedOcc 0
33 mol 222 unq 6 iso 0 dist 9.04499 15.0199 9.2581 15.2255 7.16819 5.82526 12.9462 7.97027 9.01393 6.23984 numMergedOcc 0
34 mol 222 unq 7 iso 0 dist 9.04499 15.0199 9.2581 15.2255 7.16819 5.82526 11.0561 6.81955 6.25425 8.87178 numMergedOcc 0
35 mol 222 unq 8 iso 0 dist 9.04499 15.0199 9.2581 15.2255 7.16819 5.82526 9.50604 4.9876 5.64455 7.13962 numMergedOcc 0
36 mol 222 unq 9 iso 0 dist 9.04499 8.88 9.62632 13.0565 9.08955 10.6944 12.9462 7.97027 13.3586 4.67663 numMergedOcc 0
37 mol 222 unq 10 iso 0 dist 9.04499 8.88 9.62632 13.0565 9.08955 10.6944 11.0561 6.81955 5.16212 9.32357 numMergedOcc 0
38 mol 222 unq 11 iso 0 dist 9.04499 8.88 9.62632 13.0565 9.08955 10.6944 9.50604 4.9876 5.9478 6.37382 numMergedOcc 0
39 mol 222 unq 12 iso 0 dist 9.04499 8.88 9.62632 15.9525 8.88664 15.4372 12.9462 7.97027 13.3586 4.00869 numMergedOcc 0
40 mol 222 unq 13 iso 0 dist 9.04499 8.88 9.62632 15.9525 8.88664 15.4372 11.0561 6.81955 5.16212 12.2233 numMergedOcc 0
41 mol 222 unq 14 iso 0 dist 9.04499 8.88 9.62632 15.9525 8.88664 15.4372 9.50604 4.9876 5.9478 9.60662 numMergedOcc 0
42 mol 222 unq 15 iso 0 dist 9.04499 8.88 9.62632 15.2255 7.16819 12.9388 12.9462 7.97027 13.3586 6.23984 numMergedOcc 0
43 mol 222 unq 16 iso 0 dist 9.04499 8.88 9.62632 15.2255 7.16819 12.9388 11.0561 6.81955 5.16212 8.87178 numMergedOcc 0
44 mol 222 unq 17 iso 0 dist 9.04499 8.88 9.62632 15.2255 7.16819 12.9388 9.50604 4.9876 5.9478 7.13962 numMergedOcc 0
45 mol 222 unq 18 iso 0 dist 9.04499 5.68063 7.862 13.0565 9.08955 7.75466 12.9462 7.97027 8.84507 4.67663 numMergedOcc 0
46 mol 222 unq 19 iso 0 dist 9.04499 5.68063 7.862 13.0565 9.08955 7.75466 11.0561 6.81955 8.67203 9.32357 numMergedOcc 0
47 mol 222 unq 20 iso 0 dist 9.04499 5.68063 7.862 13.0565 9.08955 7.75466 9.50604 4.9876 6.02502 6.37382 numMergedOcc 0
48 mol 222 unq 21 iso 0 dist 9.04499 5.68063 7.862 15.9525 8.88664 12.1951 12.9462 7.97027 8.84507 4.00869 numMergedOcc 0
49 mol 222 unq 22 iso 0 dist 9.04499 5.68063 7.862 15.9525 8.88664 12.1951 11.0561 6.81955 8.67203 12.2233 numMergedOcc 0
50 mol 222 unq 23 iso 0 dist 9.04499 5.68063 7.862 15.9525 8.88664 12.1951 9.50604 4.9876 6.02502 9.60662 numMergedOcc 0
51 mol 222 unq 24 iso 0 dist 9.04499 5.68063 7.862 15.2255 7.16819 11.6161 12.9462 7.97027 8.84507 6.23984 numMergedOcc 0
52 mol 222 unq 25 iso 0 dist 9.04499 5.68063 7.862 15.2255 7.16819 11.6161 11.0561 6.81955 8.67203 8.87178 numMergedOcc 0
53 mol 222 unq 26 iso 0 dist 9.04499 5.68063 7.862 15.2255 7.16819 11.6161 9.50604 4.9876 6.02502 7.13962 numMergedOcc 0
54 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 10.8394 9.30921 9.37316 14.4305 5.8304 6.5644 11.0079 numMergedOcc 0
55 mol 279 unq 1 iso 0 dist 8.84798 13.8061 8.29305 10.8394 9.30921 9.37316 6.08238 7.37478 8.70069 9.53157 numMergedOcc 0
56 mol 279 unq 2 iso 0 dist 8.84798 7.7504 6.43341 10.8394 9.30921 5.58929 14.4305 5.8304 9.40912 11.0079 numMergedOcc 0
57 mol 279 unq 3 iso 0 dist 8.84798 7.7504 6.43341 10.8394 9.30921 5.58929 6.08238 7.37478 4.14939 9.53157 numMergedOcc 0
