0 mol 5 unq 0 iso 0 dist 7.56866 9.22067 5.30421 6.62108 8.68577 9.70883 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.22067 7.56866 5.30421 6.62108 9.70883 8.68577 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.42412 8.09862 3.70336 9.64948 8.53424 7.08766 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 8.09862 5.42412 3.70336 9.64948 7.08766 8.53424 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.42412 8.89114 5.1533 9.64948 8.53424 4.82199 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.89114 5.42412 5.1533 9.64948 4.82199 8.53424 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 8.09862 8.89114 3.0988 9.64948 7.08766 4.82199 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 8.89114 8.09862 3.0988 9.64948 4.82199 7.08766 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.97167 8.8182 3.0988 10.1805 7.08766 4.82199 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 8.8182 8.97167 3.0988 10.1805 4.82199 7.08766 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 9.11745 4.62145 6.09772 3.90342 9.63882 6.87277 numMergedOcc 0
11 mol 30 unq 0 iso 1 dist 4.62145 9.11745 6.09772 3.90342 6.87277 9.63882 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 7.33788 9.74351 4.78728 3.85292 4.22002 8.10774 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 9.74351 7.33788 4.78728 3.85292 8.10774 4.22002 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 7.33788 7.36877 5.61785 3.85292 4.22002 6.5241 numMergedOcc 0
15 mol 48 unq 1 iso 1 dist 7.36877 7.33788 5.61785 3.85292 6.5241 4.22002 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 9.74351 7.36877 6.20957 3.85292 8.10774 6.5241 numMergedOcc 0
17 mol 48 unq 1 iso 1 dist 7.36877 9.74351 6.20957 3.85292 6.5241 8.10774 numMergedOcc 0
18 mol 48 unq 2 iso 0 dist 8.52681 9.98769 4.78728 6.44604 4.22002 8.10774 numMergedOcc 0
19 mol 48 unq 2 iso 1 dist 9.98769 8.52681 4.78728 6.44604 8.10774 4.22002 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 9.21776 6.89752 6.29252 3.72746 8.14245 6.36817 numMergedOcc 0
21 mol 48 unq 3 iso 1 dist 6.89752 9.21776 6.29252 3.72746 6.36817 8.14245 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 9.21776 6.85843 4.73799 3.72746 8.14245 4.17933 numMergedOcc 0
23 mol 48 unq 4 iso 1 dist 6.85843 9.21776 4.73799 3.72746 4.17933 8.14245 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 6.89752 6.85843 5.553 3.72746 6.36817 4.17933 numMergedOcc 0
25 mol 48 unq 4 iso 1 dist 6.85843 6.89752 5.553 3.72746 4.17933 6.36817 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 9.40291 7.94814 4.73799 6.4561 8.14245 4.17933 numMergedOcc 0
27 mol 48 unq 5 iso 1 dist 7.94814 9.40291 4.73799 6.4561 4.17933 8.14245 numMergedOcc 0
28 mol 48 unq 6 iso 0 dist 9.40291 9.55632 7.19576 6.4561 8.14245 5.54893 numMergedOcc 0
29 mol 48 unq 6 iso 1 dist 9.55632 9.40291 7.19576 6.4561 5.54893 8.14245 numMergedOcc 0
30 mol 48 unq 6 iso 0 dist 7.94814 9.55632 3.18526 6.4561 4.17933 5.54893 numMergedOcc 0
31 mol 48 unq 6 iso 1 dist 9.55632 7.94814 3.18526 6.4561 5.54893 4.17933 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 4.8069 6.67137 7.04244 numMergedOcc 0
33 mol 85 unq 0 iso 1 dist 8.60062 8.67342 2.58673 4.8069 7.04244 6.67137 numMergedOcc 0
34 mol 85 unq 1 iso 0 dist 8.67342 8.60062 2.58673 18.1303 9.78707 9.63449 numMergedOcc 0
35 mol 85 unq 1 iso 1 dist 8.60062 8.67342 2.58673 18.1303 9.63449 9.78707 numMergedOcc 0
36 mol 85 unq 2 iso 0 dist 5.73739 5.16225 2.58673 10.0178 6.67137 7.04244 numMergedOcc 0
37 mol 85 unq 2 iso 1 dist 5.16225 5.73739 2.58673 10.0178 7.04244 6.67137 numMergedOcc 0
38 mol 85 unq 3 iso 0 dist 5.73739 5.16225 2.58673 12.1664 9.78707 9.63449 numMergedOcc 0
39 mol 85 unq 3 iso 1 dist 5.16225 5.73739 2.58673 12.1664 9.63449 9.78707 numMergedOcc 0
40 mol 147 unq 0 iso 0 dist 6.52283 7.97305 4.68125 6.18105 3.82583 8.25768 numMergedOcc 0
41 mol 147 unq 0 iso 1 dist 7.97305 6.52283 4.68125 6.18105 8.25768 3.82583 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 6.52283 7.97305 4.68125 6.86255 5.19116 8.71702 numMergedOcc 0
43 mol 147 unq 1 iso 1 dist 7.97305 6.52283 4.68125 6.86255 8.71702 5.19116 numMergedOcc 0
44 mol 147 unq 2 iso 0 dist 6.42361 7.4121 3.00464 3.7035 3.82583 5.19116 numMergedOcc 0
45 mol 147 unq 2 iso 1 dist 7.4121 6.42361 3.00464 3.7035 5.19116 3.82583 numMergedOcc 0
46 mol 147 unq 3 iso 0 dist 6.42361 7.4121 3.00464 3.20279 8.25768 8.71702 numMergedOcc 0
47 mol 147 unq 3 iso 1 dist 7.4121 6.42361 3.00464 3.20279 8.71702 8.25768 numMergedOcc 0
48 mol 168 unq 0 iso 0 dist 5.64732 5.52214 6.37254 3.60864 5.86767 5.28353 numMergedOcc 0
49 mol 168 unq 0 iso 1 dist 5.52214 5.64732 6.37254 3.60864 5.28353 5.86767 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 9.90506 8.61077 5.76129 4.39553 6.96692 8.25286 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 8.61077 9.90506 5.76129 4.39553 8.25286 6.96692 numMergedOcc 0
52 mol 266 unq 1 iso 0 dist 9.90506 9.11585 8.75066 4.39553 6.96692 9.9965 numMergedOcc 0
53 mol 266 unq 1 iso 1 dist 9.11585 9.90506 8.75066 4.39553 9.9965 6.96692 numMergedOcc 0
54 mol 266 unq 2 iso 0 dist 6.39822 5.36518 3.00605 10.1418 7.8598 7.80711 numMergedOcc 0
55 mol 266 unq 2 iso 1 dist 5.36518 6.39822 3.00605 10.1418 7.80711 7.8598 numMergedOcc 0
56 mol 266 unq 3 iso 0 dist 6.39822 5.36518 3.00605 7.63149 8.25286 9.9965 numMergedOcc 0
57 mol 266 unq 3 iso 1 dist 5.36518 6.39822 3.00605 7.63149 9.9965 8.25286 numMergedOcc 0
58 mol 266 unq 1 iso 0 dist 8.61077 9.11585 3.00605 10.3155 7.8598 7.80711 numMergedOcc 0
59 mol 266 unq 1 iso 1 dist 9.11585 8.61077 3.00605 10.3155 7.80711 7.8598 numMergedOcc 0
60 mol 266 unq 2 iso 0 dist 8.61077 9.11585 3.00605 4.39553 8.25286 9.9965 numMergedOcc 0
61 mol 266 unq 2 iso 1 dist 9.11585 8.61077 3.00605 4.39553 9.9965 8.25286 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 8.90967 6.40861 3.75238 5.91105 6.79748 6.53598 numMergedOcc 0
63 mol 277 unq 0 iso 1 dist 6.40861 8.90967 3.75238 5.91105 6.53598 6.79748 numMergedOcc 0
64 mol 281 unq 0 iso 0 dist 9.06888 6.62682 3.77058 6.28551 6.69267 6.56886 numMergedOcc 0
65 mol 281 unq 0 iso 1 dist 6.62682 9.06888 3.77058 6.28551 6.56886 6.69267 numMergedOcc 0
