0 mol 5 unq 0 iso 0 dist 7.4332 8.33646 6.14476 8.41594 9.70883 13.9409 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 8.33646 6.14476 11.6739 9.65565 4.97032 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.74528 7.86896 6.84216 15.0022 6.83186 11.0597 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.91098 10.2219 7.61521 11.6853 7.66068 10.5019 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.91098 10.2219 7.61521 15.0489 9.5043 13.3187 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.91098 10.2219 7.61521 14.2393 8.34132 10.3032 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 4.86523 7.74851 7.61521 4.94673 7.66068 10.5019 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 4.86523 7.74851 7.61521 5.78236 9.5043 13.3187 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 4.86523 7.74851 7.61521 4.73151 8.34132 10.3032 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.66427 8.38101 5.85237 5.26904 7.07839 3.88489 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.66427 8.38101 5.85237 6.77316 7.91193 5.78841 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.66427 8.38101 5.85237 11.9441 9.09711 7.33192 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.66427 8.38101 5.85237 13.8217 7.04244 6.35602 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.66427 8.38101 5.85237 9.54731 9.63449 13.5979 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.66427 9.01135 9.11768 5.26904 7.07839 9.22202 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 8.66427 9.01135 9.11768 11.9441 9.09711 15.5226 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 8.66427 9.01135 9.11768 13.8217 7.04244 10.5854 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 8.66427 9.01135 9.11768 9.54731 9.63449 10.0606 numMergedOcc 0
18 mol 85 unq 9 iso 0 dist 8.66427 9.01135 9.11768 6.77316 7.91193 12.2858 numMergedOcc 0
19 mol 85 unq 10 iso 0 dist 7.51319 10.7979 7.69926 6.90443 6.67137 6.35602 numMergedOcc 0
20 mol 85 unq 11 iso 0 dist 7.51319 10.7979 7.69926 17.0873 9.78707 13.5979 numMergedOcc 0
21 mol 85 unq 12 iso 0 dist 8.49887 10.7979 5.85237 13.5026 7.07839 3.88489 numMergedOcc 0
22 mol 85 unq 13 iso 0 dist 8.49887 10.7979 5.85237 13.1772 7.91193 5.78841 numMergedOcc 0
23 mol 85 unq 14 iso 0 dist 8.49887 10.7979 5.85237 10.1386 9.09711 7.33192 numMergedOcc 0
24 mol 85 unq 15 iso 0 dist 8.49887 10.7979 5.85237 6.90443 7.04244 6.35602 numMergedOcc 0
25 mol 85 unq 16 iso 0 dist 8.49887 10.7979 5.85237 17.0873 9.63449 13.5979 numMergedOcc 0
26 mol 85 unq 17 iso 0 dist 8.49887 15.9875 9.11768 13.5026 7.07839 9.22202 numMergedOcc 0
27 mol 85 unq 18 iso 0 dist 8.49887 15.9875 9.11768 10.1386 9.09711 15.5226 numMergedOcc 0
28 mol 85 unq 19 iso 0 dist 8.49887 15.9875 9.11768 6.90443 7.04244 10.5854 numMergedOcc 0
29 mol 85 unq 20 iso 0 dist 8.49887 15.9875 9.11768 17.0873 9.63449 10.0606 numMergedOcc 0
30 mol 85 unq 21 iso 0 dist 8.49887 15.9875 9.11768 13.1772 7.91193 12.2858 numMergedOcc 0
31 mol 85 unq 22 iso 0 dist 9.43839 14.4751 7.69926 14.6513 6.67137 6.35602 numMergedOcc 0
32 mol 85 unq 23 iso 0 dist 9.43839 14.4751 7.69926 4.43737 9.78707 13.5979 numMergedOcc 0
33 mol 107 unq 0 iso 0 dist 7.2168 13.5052 9.45682 8.41816 8.88124 17.9917 numMergedOcc 0
34 mol 107 unq 1 iso 0 dist 7.2168 13.5052 9.45682 15.3177 8.19484 11.8593 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 9.57769 10.9135 9.30832 6.33132 9.14336 10.2689 numMergedOcc 0
36 mol 122 unq 0 iso 0 dist 4.821 6.28781 4.42563 5.74569 8.565 6.34716 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 9.99012 17.4764 8.64905 11.9534 4.3855 9.14188 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 5.33772 5.11989 8.64905 5.08025 4.3855 9.14188 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 4.79423 8.24478 5.90765 5.86994 7.25595 12.1883 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 4.79423 8.24478 5.90765 8.74892 9.94825 6.89146 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 7.56217 13.445 9.52922 11.7008 5.10542 12.8006 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 9.81055 18.4888 9.38984 11.7008 4.68722 11.6641 numMergedOcc 0
43 mol 194 unq 2 iso 0 dist 9.81055 18.4888 9.38984 14.7138 5.18325 7.3365 numMergedOcc 0
44 mol 194 unq 3 iso 0 dist 9.81055 19.6126 9.91118 11.7008 4.68722 10.0534 numMergedOcc 0
45 mol 194 unq 4 iso 0 dist 9.81055 19.6126 9.91118 14.7138 5.18325 6.3514 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 6.93942 4.75041 5.77511 8.8893 8.66299 10.0874 numMergedOcc 0
47 mol 253 unq 1 iso 0 dist 6.93942 8.65261 9.27311 8.8893 8.66299 5.10494 numMergedOcc 0
48 mol 253 unq 2 iso 0 dist 9.31626 8.62694 5.77511 13.3075 8.66299 10.0874 numMergedOcc 0
49 mol 253 unq 3 iso 0 dist 9.31626 14.0529 9.27311 13.3075 8.66299 5.10494 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 4.95415 5.98169 9.29666 12.2408 7.80711 14.5358 numMergedOcc 0
51 mol 266 unq 1 iso 0 dist 4.95415 5.98169 9.29666 13.1028 9.9965 18.7228 numMergedOcc 0
52 mol 266 unq 2 iso 0 dist 6.38519 13.8919 9.29666 5.34431 7.80711 14.5358 numMergedOcc 0
53 mol 266 unq 3 iso 0 dist 6.38519 13.8919 9.29666 8.39575 9.9965 18.7228 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 4.1545 10.4297 7.42932 5.11865 7.98956 14.2348 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 4.1545 5.77904 4.9764 5.11865 7.98956 7.75371 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 4.25172 5.77904 6.36559 5.11865 5.86185 7.75371 numMergedOcc 0
