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 1 iso 0 dist 7.56866 9.22067 5.30421 6.81491 8.13672 11.5358 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.22067 7.56866 5.30421 6.62108 9.70883 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 9.22067 7.56866 5.30421 12.0343 9.65565 12.7584 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 8.49537 9.85529 11.966 14.7887 9.70883 16.8353 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.49537 9.85529 11.966 8.65468 9.65565 17.7037 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.51428 9.28621 8.67111 7.50035 9.89219 11.286 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 5.42412 8.09862 3.70336 9.64948 8.53424 7.08766 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 5.42412 8.89114 5.1533 9.64948 8.53424 4.82199 numMergedOcc 0
9 mol 28 unq 3 iso 0 dist 8.09862 5.42412 3.70336 9.64948 7.08766 8.53424 numMergedOcc 0
10 mol 28 unq 4 iso 0 dist 8.09862 8.89114 3.0988 9.64948 7.08766 4.82199 numMergedOcc 0
11 mol 28 unq 5 iso 0 dist 8.97167 8.8182 3.0988 10.1805 7.08766 4.82199 numMergedOcc 0
12 mol 28 unq 6 iso 0 dist 8.89114 5.42412 5.1533 9.64948 4.82199 8.53424 numMergedOcc 0
13 mol 28 unq 7 iso 0 dist 8.89114 8.09862 3.0988 9.64948 4.82199 7.08766 numMergedOcc 0
14 mol 28 unq 8 iso 0 dist 8.8182 8.97167 3.0988 10.1805 4.82199 7.08766 numMergedOcc 0
15 mol 30 unq 0 iso 0 dist 9.11745 4.62145 6.09772 3.90342 9.63882 6.87277 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 9.11745 9.71995 11.1844 3.90342 9.63882 11.3258 numMergedOcc 0
17 mol 30 unq 2 iso 0 dist 4.62145 9.11745 6.09772 3.90342 6.87277 9.63882 numMergedOcc 0
18 mol 30 unq 3 iso 0 dist 4.62145 9.71995 11.2187 3.90342 6.87277 11.3258 numMergedOcc 0
19 mol 48 unq 0 iso 0 dist 7.33788 9.74351 4.78728 7.0331 8.96151 13.4006 numMergedOcc 0
20 mol 48 unq 1 iso 0 dist 7.33788 9.74351 4.78728 3.85292 4.22002 8.10774 numMergedOcc 0
21 mol 48 unq 2 iso 0 dist 7.33788 7.36877 5.61785 7.0331 8.96151 10.2447 numMergedOcc 0
22 mol 48 unq 3 iso 0 dist 7.33788 7.36877 5.61785 3.85292 4.22002 6.5241 numMergedOcc 0
23 mol 48 unq 4 iso 0 dist 9.74351 7.33788 4.78728 3.85292 8.10774 4.22002 numMergedOcc 0
24 mol 48 unq 5 iso 0 dist 9.74351 7.36877 6.20957 3.85292 8.10774 6.5241 numMergedOcc 0
25 mol 48 unq 6 iso 0 dist 7.36877 7.33788 5.61785 6.64874 5.54472 9.83205 numMergedOcc 0
26 mol 48 unq 7 iso 0 dist 7.36877 7.33788 5.61785 5.68077 8.62369 11.444 numMergedOcc 0
27 mol 48 unq 8 iso 0 dist 7.36877 7.33788 5.61785 3.85292 6.5241 4.22002 numMergedOcc 0
28 mol 48 unq 9 iso 0 dist 7.36877 9.74351 6.20957 6.64874 5.54472 9.84914 numMergedOcc 0
29 mol 48 unq 10 iso 0 dist 7.36877 9.74351 6.20957 5.68077 8.62369 11.9942 numMergedOcc 0
30 mol 48 unq 11 iso 0 dist 7.36877 9.74351 6.20957 3.85292 6.5241 8.10774 numMergedOcc 0
31 mol 48 unq 12 iso 0 dist 8.52681 9.98769 4.78728 10.4499 8.96151 13.4006 numMergedOcc 0
32 mol 48 unq 13 iso 0 dist 8.52681 9.98769 4.78728 6.44604 4.22002 8.10774 numMergedOcc 0
33 mol 48 unq 14 iso 0 dist 9.98769 8.52681 4.78728 6.44604 8.10774 4.22002 numMergedOcc 0
34 mol 48 unq 15 iso 0 dist 7.90416 9.74553 14.9999 9.165 9.05737 14.5865 numMergedOcc 0
35 mol 48 unq 16 iso 0 dist 9.21776 6.89752 6.29252 3.72746 8.14245 6.36817 numMergedOcc 0
36 mol 48 unq 17 iso 0 dist 9.21776 6.85843 4.73799 3.72746 8.14245 4.17933 numMergedOcc 0
37 mol 48 unq 18 iso 0 dist 6.89752 9.21776 6.29252 6.42565 5.37439 9.29472 numMergedOcc 0
38 mol 48 unq 19 iso 0 dist 6.89752 9.21776 6.29252 5.7824 8.3714 11.3622 numMergedOcc 0
39 mol 48 unq 20 iso 0 dist 6.89752 9.21776 6.29252 3.72746 6.36817 8.14245 numMergedOcc 0
40 mol 48 unq 21 iso 0 dist 6.89752 6.85843 5.553 6.42565 5.37439 9.47823 numMergedOcc 0
41 mol 48 unq 22 iso 0 dist 6.89752 6.85843 5.553 5.7824 8.3714 11.095 numMergedOcc 0
42 mol 48 unq 23 iso 0 dist 6.89752 6.85843 5.553 3.72746 6.36817 4.17933 numMergedOcc 0
43 mol 48 unq 24 iso 0 dist 6.85843 9.21776 4.73799 3.72746 4.17933 8.14245 numMergedOcc 0
44 mol 48 unq 25 iso 0 dist 6.85843 6.89752 5.553 3.72746 4.17933 6.36817 numMergedOcc 0
45 mol 48 unq 26 iso 0 dist 9.40291 7.94814 4.73799 6.4561 8.14245 4.17933 numMergedOcc 0
46 mol 48 unq 27 iso 0 dist 9.40291 9.55632 7.19576 6.4561 8.14245 5.54893 numMergedOcc 0
47 mol 48 unq 28 iso 0 dist 7.94814 9.40291 4.73799 6.4561 4.17933 8.14245 numMergedOcc 0
48 mol 48 unq 29 iso 0 dist 7.94814 9.55632 3.18526 6.4561 4.17933 5.54893 numMergedOcc 0
49 mol 48 unq 30 iso 0 dist 9.55632 9.40291 7.19576 6.4561 5.54893 8.14245 numMergedOcc 0
50 mol 48 unq 31 iso 0 dist 9.55632 7.94814 3.18526 6.4561 5.54893 4.17933 numMergedOcc 0
51 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 4.8069 6.67137 7.04244 numMergedOcc 0
52 mol 85 unq 1 iso 0 dist 8.67342 8.60062 2.58673 18.1303 9.78707 9.63449 numMergedOcc 0
53 mol 85 unq 2 iso 0 dist 8.60062 8.67342 2.58673 11.1042 7.07839 9.52926 numMergedOcc 0
54 mol 85 unq 3 iso 0 dist 8.60062 8.67342 2.58673 10.9585 7.91193 10.4386 numMergedOcc 0
55 mol 85 unq 4 iso 0 dist 8.60062 8.67342 2.58673 7.55572 9.09711 10.9264 numMergedOcc 0
56 mol 85 unq 5 iso 0 dist 8.60062 8.67342 2.58673 4.8069 7.04244 6.67137 numMergedOcc 0
57 mol 85 unq 6 iso 0 dist 8.60062 8.67342 2.58673 18.1303 9.63449 9.78707 numMergedOcc 0
58 mol 85 unq 7 iso 0 dist 5.73739 5.16225 2.58673 10.0178 6.67137 7.04244 numMergedOcc 0
59 mol 85 unq 8 iso 0 dist 5.73739 5.16225 2.58673 12.1664 9.78707 9.63449 numMergedOcc 0
60 mol 85 unq 9 iso 0 dist 5.16225 5.73739 2.58673 10.0529 7.07839 9.52926 numMergedOcc 0
61 mol 85 unq 10 iso 0 dist 5.16225 5.73739 2.58673 9.0874 7.91193 10.4386 numMergedOcc 0
62 mol 85 unq 11 iso 0 dist 5.16225 5.73739 2.58673 8.41797 9.09711 10.9264 numMergedOcc 0
63 mol 85 unq 12 iso 0 dist 5.16225 5.73739 2.58673 10.0178 7.04244 6.67137 numMergedOcc 0
64 mol 85 unq 13 iso 0 dist 5.16225 5.73739 2.58673 12.1664 9.63449 9.78707 numMergedOcc 0
65 mol 143 unq 0 iso 0 dist 6.38786 9.31435 10.2275 3.66518 4.3855 10.8164 numMergedOcc 0
66 mol 147 unq 0 iso 0 dist 6.52283 7.97305 4.68125 6.18105 3.82583 8.25768 numMergedOcc 0
67 mol 147 unq 1 iso 0 dist 6.52283 7.97305 4.68125 6.86255 5.19116 8.71702 numMergedOcc 0
68 mol 147 unq 2 iso 0 dist 6.42361 7.4121 3.00464 3.7035 3.82583 5.19116 numMergedOcc 0
69 mol 147 unq 3 iso 0 dist 6.42361 7.4121 3.00464 3.20279 8.25768 8.71702 numMergedOcc 0
70 mol 147 unq 4 iso 0 dist 7.4121 6.42361 3.00464 3.7035 5.19116 3.82583 numMergedOcc 0
71 mol 147 unq 5 iso 0 dist 7.4121 6.42361 3.00464 3.20279 8.71702 8.25768 numMergedOcc 0
72 mol 147 unq 6 iso 0 dist 7.97305 6.52283 4.68125 6.18105 8.25768 3.82583 numMergedOcc 0
73 mol 147 unq 7 iso 0 dist 7.97305 6.52283 4.68125 6.86255 8.71702 5.19116 numMergedOcc 0
74 mol 158 unq 0 iso 0 dist 9.98554 7.76952 17.1307 7.59334 7.97228 14.8699 numMergedOcc 0
75 mol 168 unq 0 iso 0 dist 5.64732 5.52214 6.37254 3.60864 5.86767 5.28353 numMergedOcc 0
76 mol 168 unq 1 iso 0 dist 5.64732 5.80055 8.38976 3.60864 5.86767 8.89343 numMergedOcc 0
77 mol 168 unq 2 iso 0 dist 5.64732 7.44481 8.62142 3.60864 5.86767 9.52186 numMergedOcc 0
78 mol 168 unq 3 iso 0 dist 5.52214 5.64732 6.37254 3.60864 5.28353 5.86767 numMergedOcc 0
79 mol 168 unq 4 iso 0 dist 5.52214 5.80055 6.81049 3.60864 5.28353 8.89343 numMergedOcc 0
80 mol 168 unq 5 iso 0 dist 5.52214 7.44481 5.50898 3.60864 5.28353 9.52186 numMergedOcc 0
81 mol 193 unq 0 iso 0 dist 9.73679 9.50113 14.6395 4.8988 8.30069 12.6747 numMergedOcc 0
82 mol 230 unq 0 iso 0 dist 9.62914 9.73038 13.2396 3.86973 9.47092 11.6163 numMergedOcc 0
83 mol 233 unq 0 iso 0 dist 8.18379 8.70416 4.5066 5.38659 9.80479 10.9386 numMergedOcc 0
84 mol 266 unq 0 iso 0 dist 9.90506 8.61077 5.76129 4.39553 6.96692 8.25286 numMergedOcc 0
85 mol 266 unq 1 iso 0 dist 9.90506 9.11585 8.75066 4.39553 6.96692 9.9965 numMergedOcc 0
86 mol 266 unq 2 iso 0 dist 6.39822 5.36518 3.00605 10.1418 7.8598 7.80711 numMergedOcc 0
87 mol 266 unq 3 iso 0 dist 6.39822 5.36518 3.00605 7.63149 8.25286 9.9965 numMergedOcc 0
88 mol 266 unq 4 iso 0 dist 8.61077 9.90506 5.76129 10.3155 7.8598 10.9313 numMergedOcc 0
89 mol 266 unq 5 iso 0 dist 8.61077 9.90506 5.76129 4.39553 8.25286 6.96692 numMergedOcc 0
90 mol 266 unq 6 iso 0 dist 8.61077 9.11585 3.00605 10.3155 7.8598 7.80711 numMergedOcc 0
91 mol 266 unq 7 iso 0 dist 8.61077 9.11585 3.00605 4.39553 8.25286 9.9965 numMergedOcc 0
92 mol 266 unq 8 iso 0 dist 5.36518 6.39822 3.00605 10.1418 7.80711 7.8598 numMergedOcc 0
93 mol 266 unq 9 iso 0 dist 5.36518 6.39822 3.00605 7.63149 9.9965 8.25286 numMergedOcc 0
94 mol 266 unq 10 iso 0 dist 9.11585 9.90506 8.75066 10.3155 7.80711 10.9313 numMergedOcc 0
95 mol 266 unq 11 iso 0 dist 9.11585 9.90506 8.75066 4.39553 9.9965 6.96692 numMergedOcc 0
96 mol 266 unq 12 iso 0 dist 9.11585 8.61077 3.00605 10.3155 7.80711 7.8598 numMergedOcc 0
97 mol 266 unq 13 iso 0 dist 9.11585 8.61077 3.00605 4.39553 9.9965 8.25286 numMergedOcc 0
98 mol 277 unq 0 iso 0 dist 8.90967 6.40861 3.75238 16.883 7.98956 11.2004 numMergedOcc 0
99 mol 277 unq 1 iso 0 dist 8.90967 6.40861 3.75238 14.5363 5.86185 8.41856 numMergedOcc 0
100 mol 277 unq 2 iso 0 dist 8.90967 6.40861 3.75238 5.91105 6.79748 6.53598 numMergedOcc 0
101 mol 277 unq 3 iso 0 dist 6.40861 8.90967 3.75238 5.91105 6.53598 6.79748 numMergedOcc 0
102 mol 281 unq 0 iso 0 dist 9.06888 6.62682 3.77058 15.8562 7.90368 9.46544 numMergedOcc 0
103 mol 281 unq 1 iso 0 dist 9.06888 6.62682 3.77058 6.28551 6.69267 6.56886 numMergedOcc 0
104 mol 281 unq 2 iso 0 dist 6.62682 9.06888 3.77058 6.24691 5.33372 8.70938 numMergedOcc 0
105 mol 281 unq 3 iso 0 dist 6.62682 9.06888 3.77058 6.28551 6.56886 6.69267 numMergedOcc 0
106 mol 287 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 numMergedOcc 0
107 mol 288 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 numMergedOcc 0
108 mol 289 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 numMergedOcc 0
