0 mol 26 unq 0 iso 0 dist 9.15677 12.9455 7.98005 14.2359 8.31381 6.92384 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.15677 14.2359 8.31381 12.9455 7.98005 6.92384 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 5.34406 7.98005 11.3355 8.31381 6.92384 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 9.61029 11.3355 8.31381 5.34406 7.98005 6.92384 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.6606 7.39492 8.06267 4.89623 5.88334 3.20411 numMergedOcc 0
5 mol 68 unq 0 iso 1 dist 6.6606 4.89623 5.88334 7.39492 8.06267 3.20411 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 6.27528 4.29847 9.83836 8.0664 9.58351 8.81968 numMergedOcc 0
7 mol 69 unq 0 iso 1 dist 6.27528 8.0664 9.58351 4.29847 9.83836 8.81968 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 7.80757 13.7086 7.91148 10.9209 6.59794 3.24688 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 7.80757 10.9209 6.59794 13.7086 7.91148 3.24688 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.80757 13.7086 7.91148 15.7494 8.34957 4.60796 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 7.80757 15.7494 8.34957 13.7086 7.91148 4.60796 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 7.80757 10.9209 6.59794 15.7494 8.34957 7.19832 numMergedOcc 0
13 mol 78 unq 1 iso 1 dist 7.80757 15.7494 8.34957 10.9209 6.59794 7.19832 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 9.2835 12.7015 7.91148 12.9102 6.59794 3.24688 numMergedOcc 0
15 mol 78 unq 2 iso 1 dist 9.2835 12.9102 6.59794 12.7015 7.91148 3.24688 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 9.2835 12.7015 7.91148 10.2933 8.34957 4.60796 numMergedOcc 0
17 mol 78 unq 3 iso 1 dist 9.2835 10.2933 8.34957 12.7015 7.91148 4.60796 numMergedOcc 0
18 mol 78 unq 3 iso 0 dist 9.2835 12.9102 6.59794 10.2933 8.34957 7.19832 numMergedOcc 0
19 mol 78 unq 3 iso 1 dist 9.2835 10.2933 8.34957 12.9102 6.59794 7.19832 numMergedOcc 0
20 mol 78 unq 4 iso 0 dist 5.02591 11.1086 7.91148 10.2834 6.59794 3.24688 numMergedOcc 0
21 mol 78 unq 4 iso 1 dist 5.02591 10.2834 6.59794 11.1086 7.91148 3.24688 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 5.02591 11.1086 7.91148 10.0935 8.34957 4.60796 numMergedOcc 0
23 mol 78 unq 5 iso 1 dist 5.02591 10.0935 8.34957 11.1086 7.91148 4.60796 numMergedOcc 0
24 mol 78 unq 5 iso 0 dist 5.02591 10.2834 6.59794 10.0935 8.34957 7.19832 numMergedOcc 0
25 mol 78 unq 5 iso 1 dist 5.02591 10.0935 8.34957 10.2834 6.59794 7.19832 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.91837 3.38932 8.11702 8.29666 7.44558 9.99088 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 8.91837 8.29666 7.44558 3.38932 8.11702 9.99088 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 8.76613 3.45896 7.78789 8.51501 7.42146 9.77711 numMergedOcc 0
29 mol 117 unq 0 iso 1 dist 8.76613 8.51501 7.42146 3.45896 7.78789 9.77711 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 9.79448 10.4591 5.39356 12.2845 9.92746 10.4915 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 9.79448 12.2845 9.92746 10.4591 5.39356 10.4915 numMergedOcc 0
32 mol 136 unq 0 iso 0 dist 6.53519 4.3516 9.92504 4.25637 9.96485 3.26837 numMergedOcc 0
33 mol 136 unq 0 iso 1 dist 6.53519 4.25637 9.96485 4.3516 9.92504 3.26837 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 4.93984 7.95112 9.86868 4.03388 6.83528 9.71457 numMergedOcc 0
35 mol 167 unq 0 iso 1 dist 4.93984 4.03388 6.83528 7.95112 9.86868 9.71457 numMergedOcc 0
36 mol 168 unq 0 iso 0 dist 6.60477 7.42753 8.92592 5.47812 9.57452 3.44823 numMergedOcc 0
37 mol 168 unq 0 iso 1 dist 6.60477 5.47812 9.57452 7.42753 8.92592 3.44823 numMergedOcc 0
38 mol 198 unq 0 iso 0 dist 5.80867 6.36333 6.77156 3.69483 7.97894 5.53445 numMergedOcc 0
39 mol 198 unq 0 iso 1 dist 5.80867 3.69483 7.97894 6.36333 6.77156 5.53445 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 5.80867 6.36333 6.77156 9.0575 8.08471 10.4205 numMergedOcc 0
41 mol 198 unq 1 iso 1 dist 5.80867 9.0575 8.08471 6.36333 6.77156 10.4205 numMergedOcc 0
42 mol 198 unq 1 iso 0 dist 5.80867 3.69483 7.97894 9.0575 8.08471 8.69074 numMergedOcc 0
43 mol 198 unq 1 iso 1 dist 5.80867 9.0575 8.08471 3.69483 7.97894 8.69074 numMergedOcc 0
44 mol 198 unq 2 iso 0 dist 9.4363 13.9439 6.77156 11.1303 7.97894 5.53445 numMergedOcc 0
45 mol 198 unq 2 iso 1 dist 9.4363 11.1303 7.97894 13.9439 6.77156 5.53445 numMergedOcc 0
46 mol 198 unq 3 iso 0 dist 9.4363 13.9439 6.77156 5.89703 8.08471 10.4205 numMergedOcc 0
47 mol 198 unq 3 iso 1 dist 9.4363 5.89703 8.08471 13.9439 6.77156 10.4205 numMergedOcc 0
48 mol 198 unq 3 iso 0 dist 9.4363 11.1303 7.97894 5.89703 8.08471 8.69074 numMergedOcc 0
49 mol 198 unq 3 iso 1 dist 9.4363 5.89703 8.08471 11.1303 7.97894 8.69074 numMergedOcc 0
50 mol 213 unq 0 iso 0 dist 6.82881 7.85961 9.09354 7.38644 4.66576 11.4531 numMergedOcc 0
51 mol 213 unq 0 iso 1 dist 6.82881 7.38644 4.66576 7.85961 9.09354 11.4531 numMergedOcc 0
52 mol 218 unq 0 iso 0 dist 5.52981 8.95992 6.1896 6.50485 6.09255 6.94905 numMergedOcc 0
53 mol 218 unq 0 iso 1 dist 5.52981 6.50485 6.09255 8.95992 6.1896 6.94905 numMergedOcc 0
54 mol 231 unq 0 iso 0 dist 8.17766 8.26166 9.9868 9.74804 7.3268 13.1222 numMergedOcc 0
55 mol 231 unq 0 iso 1 dist 8.17766 9.74804 7.3268 8.26166 9.9868 13.1222 numMergedOcc 0
56 mol 231 unq 1 iso 0 dist 9.84965 6.84363 9.9868 8.52323 7.3268 13.1222 numMergedOcc 0
57 mol 231 unq 1 iso 1 dist 9.84965 8.52323 7.3268 6.84363 9.9868 13.1222 numMergedOcc 0
58 mol 292 unq 0 iso 0 dist 5.69465 7.17049 6.69619 7.97171 4.49592 3.75963 numMergedOcc 0
59 mol 292 unq 0 iso 1 dist 5.69465 7.97171 4.49592 7.17049 6.69619 3.75963 numMergedOcc 0
