0 mol 5 unq 0 iso 0 dist 7.56866 6.62108 8.68577 9.16196 3.50411 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.56866 6.62108 8.68577 9.22067 5.30421 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.56866 6.81491 8.13672 9.16196 3.50411 8.31759 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 9.22067 6.62108 9.70883 9.16196 4.84696 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 9.22067 6.62108 9.70883 7.56866 5.30421 8.68577 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.49537 14.7887 9.70883 12.7615 4.84696 7.64769 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.49537 14.7887 9.70883 13.6912 5.30421 8.68577 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 5.42412 9.64948 8.53424 8.09862 3.70336 7.08766 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 5.42412 9.64948 8.53424 8.89114 5.1533 4.82199 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 8.09862 9.64948 7.08766 5.42412 3.70336 8.53424 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 8.09862 9.64948 7.08766 8.89114 3.0988 4.82199 numMergedOcc 0
11 mol 28 unq 4 iso 0 dist 8.97167 10.1805 7.08766 12.664 3.70336 8.53424 numMergedOcc 0
12 mol 28 unq 5 iso 0 dist 8.97167 10.1805 7.08766 8.8182 3.0988 4.82199 numMergedOcc 0
13 mol 28 unq 6 iso 0 dist 8.89114 9.64948 4.82199 5.42412 5.1533 8.53424 numMergedOcc 0
14 mol 28 unq 7 iso 0 dist 8.89114 9.64948 4.82199 8.09862 3.0988 7.08766 numMergedOcc 0
15 mol 28 unq 8 iso 0 dist 8.8182 10.1805 4.82199 12.664 5.1533 8.53424 numMergedOcc 0
16 mol 28 unq 9 iso 0 dist 8.8182 10.1805 4.82199 8.97167 3.0988 7.08766 numMergedOcc 0
17 mol 30 unq 0 iso 0 dist 9.11745 3.90342 9.63882 4.62145 6.09772 6.87277 numMergedOcc 0
18 mol 30 unq 1 iso 0 dist 4.62145 3.90342 6.87277 9.11745 6.09772 9.63882 numMergedOcc 0
19 mol 48 unq 0 iso 0 dist 9.55284 8.48678 6.5241 16.5407 10.1674 8.22812 numMergedOcc 0
20 mol 48 unq 1 iso 0 dist 9.55284 8.48678 6.5241 10.6828 5.61785 4.22002 numMergedOcc 0
21 mol 48 unq 2 iso 0 dist 9.55284 8.48678 6.5241 13.3984 8.43495 5.77855 numMergedOcc 0
22 mol 48 unq 3 iso 0 dist 9.55284 8.48678 6.5241 10.9118 6.20957 8.10774 numMergedOcc 0
23 mol 48 unq 4 iso 0 dist 7.33788 7.0331 8.96151 11.9578 6.87266 8.65524 numMergedOcc 0
24 mol 48 unq 5 iso 0 dist 7.33788 7.0331 8.96151 9.51079 3.23184 9.02535 numMergedOcc 0
25 mol 48 unq 6 iso 0 dist 7.33788 3.85292 4.22002 11.9578 6.87266 8.22812 numMergedOcc 0
26 mol 48 unq 7 iso 0 dist 7.33788 3.85292 4.22002 9.51079 3.23184 5.77855 numMergedOcc 0
27 mol 48 unq 8 iso 0 dist 7.33788 3.85292 4.22002 9.74351 4.78728 8.10774 numMergedOcc 0
28 mol 48 unq 9 iso 0 dist 7.33788 3.85292 4.22002 7.36877 5.61785 6.5241 numMergedOcc 0
29 mol 48 unq 10 iso 0 dist 9.74351 3.85292 8.10774 11.9578 10.9047 8.22812 numMergedOcc 0
30 mol 48 unq 11 iso 0 dist 9.74351 3.85292 8.10774 7.33788 4.78728 4.22002 numMergedOcc 0
31 mol 48 unq 12 iso 0 dist 9.74351 3.85292 8.10774 9.51079 7.18912 5.77855 numMergedOcc 0
32 mol 48 unq 13 iso 0 dist 9.74351 3.85292 8.10774 7.36877 6.20957 6.5241 numMergedOcc 0
33 mol 48 unq 14 iso 0 dist 7.36877 3.85292 6.5241 11.9578 10.1674 8.22812 numMergedOcc 0
34 mol 48 unq 15 iso 0 dist 7.36877 3.85292 6.5241 7.33788 5.61785 4.22002 numMergedOcc 0
35 mol 48 unq 16 iso 0 dist 7.36877 3.85292 6.5241 9.51079 8.43495 5.77855 numMergedOcc 0
36 mol 48 unq 17 iso 0 dist 7.36877 3.85292 6.5241 9.74351 6.20957 8.10774 numMergedOcc 0
37 mol 48 unq 18 iso 0 dist 8.52681 10.4499 8.96151 13.8065 6.87266 8.65524 numMergedOcc 0
38 mol 48 unq 19 iso 0 dist 8.52681 10.4499 8.96151 10.084 3.23184 9.02535 numMergedOcc 0
39 mol 48 unq 20 iso 0 dist 8.52681 6.44604 4.22002 13.8065 6.87266 8.22812 numMergedOcc 0
40 mol 48 unq 21 iso 0 dist 8.52681 6.44604 4.22002 10.084 3.23184 5.77855 numMergedOcc 0
41 mol 48 unq 22 iso 0 dist 8.52681 6.44604 4.22002 9.98769 4.78728 8.10774 numMergedOcc 0
42 mol 48 unq 23 iso 0 dist 8.52681 6.44604 4.22002 10.9073 5.61785 6.5241 numMergedOcc 0
43 mol 48 unq 24 iso 0 dist 9.98769 6.44604 8.10774 13.8065 10.9047 8.22812 numMergedOcc 0
44 mol 48 unq 25 iso 0 dist 9.98769 6.44604 8.10774 8.52681 4.78728 4.22002 numMergedOcc 0
45 mol 48 unq 26 iso 0 dist 9.98769 6.44604 8.10774 10.084 7.18912 5.77855 numMergedOcc 0
46 mol 48 unq 27 iso 0 dist 9.98769 6.44604 8.10774 10.9073 6.20957 6.5241 numMergedOcc 0
47 mol 48 unq 28 iso 0 dist 9.21776 3.72746 8.14245 6.89752 6.29252 6.36817 numMergedOcc 0
48 mol 48 unq 29 iso 0 dist 9.21776 3.72746 8.14245 11.7175 10.8994 8.0812 numMergedOcc 0
49 mol 48 unq 30 iso 0 dist 9.21776 3.72746 8.14245 6.85843 4.73799 4.17933 numMergedOcc 0
50 mol 48 unq 31 iso 0 dist 9.21776 3.72746 8.14245 9.03709 7.19576 5.54893 numMergedOcc 0
51 mol 48 unq 32 iso 0 dist 6.89752 3.72746 6.36817 9.21776 6.29252 8.14245 numMergedOcc 0
52 mol 48 unq 33 iso 0 dist 6.89752 3.72746 6.36817 11.7175 9.94041 8.0812 numMergedOcc 0
53 mol 48 unq 34 iso 0 dist 6.89752 3.72746 6.36817 6.85843 5.553 4.17933 numMergedOcc 0
54 mol 48 unq 35 iso 0 dist 6.89752 3.72746 6.36817 9.03709 8.14415 5.54893 numMergedOcc 0
55 mol 48 unq 36 iso 0 dist 6.85843 3.72746 4.17933 9.21776 4.73799 8.14245 numMergedOcc 0
56 mol 48 unq 37 iso 0 dist 6.85843 3.72746 4.17933 6.89752 5.553 6.36817 numMergedOcc 0
57 mol 48 unq 38 iso 0 dist 6.85843 3.72746 4.17933 11.7175 6.96103 8.0812 numMergedOcc 0
58 mol 48 unq 39 iso 0 dist 6.85843 3.72746 4.17933 9.03709 3.18526 5.54893 numMergedOcc 0
59 mol 48 unq 40 iso 0 dist 9.40291 6.4561 8.14245 10.6705 6.29252 6.36817 numMergedOcc 0
60 mol 48 unq 41 iso 0 dist 9.40291 6.4561 8.14245 13.4464 10.8994 8.0812 numMergedOcc 0
61 mol 48 unq 42 iso 0 dist 9.40291 6.4561 8.14245 7.94814 4.73799 4.17933 numMergedOcc 0
62 mol 48 unq 43 iso 0 dist 9.40291 6.4561 8.14245 9.55632 7.19576 5.54893 numMergedOcc 0
63 mol 48 unq 44 iso 0 dist 7.94814 6.4561 4.17933 9.40291 4.73799 8.14245 numMergedOcc 0
64 mol 48 unq 45 iso 0 dist 7.94814 6.4561 4.17933 10.6705 5.553 6.36817 numMergedOcc 0
65 mol 48 unq 46 iso 0 dist 7.94814 6.4561 4.17933 13.4464 6.96103 8.0812 numMergedOcc 0
66 mol 48 unq 47 iso 0 dist 7.94814 6.4561 4.17933 9.55632 3.18526 5.54893 numMergedOcc 0
67 mol 48 unq 48 iso 0 dist 9.55632 6.4561 5.54893 9.40291 7.19576 8.14245 numMergedOcc 0
68 mol 48 unq 49 iso 0 dist 9.55632 6.4561 5.54893 10.6705 8.14415 6.36817 numMergedOcc 0
69 mol 48 unq 50 iso 0 dist 9.55632 6.4561 5.54893 13.4464 4.54874 8.0812 numMergedOcc 0
70 mol 48 unq 51 iso 0 dist 9.55632 6.4561 5.54893 7.94814 3.18526 4.17933 numMergedOcc 0
71 mol 63 unq 0 iso 0 dist 6.42443 12.6017 9.13228 15.0649 13.0286 8.14512 numMergedOcc 0
72 mol 76 unq 0 iso 0 dist 9.50939 8.58474 7.66068 13.4154 6.98219 9.5043 numMergedOcc 0
73 mol 76 unq 1 iso 0 dist 9.50939 8.58474 7.66068 15.0873 8.74837 8.34132 numMergedOcc 0
74 mol 78 unq 0 iso 0 dist 7.50229 7.86077 8.61143 13.6 8.09729 9.07629 numMergedOcc 0
75 mol 78 unq 1 iso 0 dist 7.50229 7.92963 8.79979 10.009 3.46822 8.42738 numMergedOcc 0
76 mol 79 unq 0 iso 0 dist 6.64921 9.36535 4.808 12.9584 7.13643 6.20144 numMergedOcc 0
77 mol 83 unq 0 iso 0 dist 5.13041 4.48523 7.50925 8.57603 6.91034 6.96722 numMergedOcc 0
78 mol 85 unq 0 iso 0 dist 8.67342 4.8069 6.67137 8.60062 2.58673 7.04244 numMergedOcc 0
79 mol 85 unq 1 iso 0 dist 8.67342 18.1303 9.78707 8.60062 2.58673 9.63449 numMergedOcc 0
80 mol 85 unq 2 iso 0 dist 8.60062 4.8069 7.04244 8.67342 2.58673 6.67137 numMergedOcc 0
81 mol 85 unq 3 iso 0 dist 8.60062 18.1303 9.63449 8.67342 2.58673 9.78707 numMergedOcc 0
82 mol 85 unq 4 iso 0 dist 5.73739 10.0178 6.67137 5.16225 2.58673 7.04244 numMergedOcc 0
83 mol 85 unq 5 iso 0 dist 5.73739 12.1664 9.78707 5.16225 2.58673 9.63449 numMergedOcc 0
84 mol 85 unq 6 iso 0 dist 5.16225 10.0178 7.04244 5.73739 2.58673 6.67137 numMergedOcc 0
85 mol 85 unq 7 iso 0 dist 5.16225 12.1664 9.63449 5.73739 2.58673 9.78707 numMergedOcc 0
86 mol 109 unq 0 iso 0 dist 9.87557 5.38685 9.29327 14.2616 10.241 9.51764 numMergedOcc 0
87 mol 147 unq 0 iso 0 dist 6.52283 6.18105 3.82583 7.97305 4.68125 8.25768 numMergedOcc 0
88 mol 147 unq 1 iso 0 dist 6.52283 6.86255 5.19116 7.97305 4.68125 8.71702 numMergedOcc 0
89 mol 147 unq 2 iso 0 dist 6.42361 3.7035 3.82583 7.4121 3.00464 5.19116 numMergedOcc 0
90 mol 147 unq 3 iso 0 dist 6.42361 3.20279 8.25768 7.4121 3.00464 8.71702 numMergedOcc 0
91 mol 147 unq 4 iso 0 dist 7.4121 3.7035 5.19116 6.42361 3.00464 3.82583 numMergedOcc 0
92 mol 147 unq 5 iso 0 dist 7.4121 3.20279 8.71702 6.42361 3.00464 8.25768 numMergedOcc 0
93 mol 147 unq 6 iso 0 dist 7.97305 6.18105 8.25768 6.52283 4.68125 3.82583 numMergedOcc 0
94 mol 147 unq 7 iso 0 dist 7.97305 6.86255 8.71702 6.52283 4.68125 5.19116 numMergedOcc 0
95 mol 168 unq 0 iso 0 dist 5.64732 3.60864 5.86767 5.52214 6.37254 5.28353 numMergedOcc 0
96 mol 168 unq 1 iso 0 dist 5.52214 3.60864 5.28353 5.64732 6.37254 5.86767 numMergedOcc 0
97 mol 193 unq 0 iso 0 dist 9.73679 4.8988 8.30069 12.0533 4.75086 8.83551 numMergedOcc 0
98 mol 254 unq 0 iso 0 dist 7.40957 9.72134 9.20109 9.39961 3.15539 7.85841 numMergedOcc 0
99 mol 266 unq 0 iso 0 dist 7.74133 15.2892 8.25286 19.5172 11.938 7.8598 numMergedOcc 0
100 mol 266 unq 1 iso 0 dist 7.74133 16.6916 9.9965 19.5172 11.938 7.80711 numMergedOcc 0
101 mol 266 unq 2 iso 0 dist 9.90506 4.39553 6.96692 8.61077 5.76129 8.25286 numMergedOcc 0
102 mol 266 unq 3 iso 0 dist 9.90506 4.39553 6.96692 9.11585 8.75066 9.9965 numMergedOcc 0
103 mol 266 unq 4 iso 0 dist 9.03341 3.94797 6.96692 10.9833 5.76129 8.25286 numMergedOcc 0
104 mol 266 unq 5 iso 0 dist 9.03341 3.94797 6.96692 12.7605 8.75066 9.9965 numMergedOcc 0
105 mol 266 unq 6 iso 0 dist 6.39822 10.1418 7.8598 5.36518 3.00605 7.80711 numMergedOcc 0
106 mol 266 unq 7 iso 0 dist 6.39822 7.63149 8.25286 10.3444 5.76129 6.96692 numMergedOcc 0
107 mol 266 unq 8 iso 0 dist 6.39822 7.63149 8.25286 5.36518 3.00605 9.9965 numMergedOcc 0
108 mol 266 unq 9 iso 0 dist 8.61077 10.3155 7.8598 9.11585 3.00605 7.80711 numMergedOcc 0
109 mol 266 unq 10 iso 0 dist 8.61077 4.39553 8.25286 9.90506 5.76129 6.96692 numMergedOcc 0
110 mol 266 unq 11 iso 0 dist 8.61077 4.39553 8.25286 9.11585 3.00605 9.9965 numMergedOcc 0
111 mol 266 unq 12 iso 0 dist 5.36518 10.1418 7.80711 6.39822 3.00605 7.8598 numMergedOcc 0
112 mol 266 unq 13 iso 0 dist 5.36518 7.63149 9.9965 10.3444 8.75066 6.96692 numMergedOcc 0
113 mol 266 unq 14 iso 0 dist 5.36518 7.63149 9.9965 6.39822 3.00605 8.25286 numMergedOcc 0
114 mol 266 unq 15 iso 0 dist 9.11585 10.3155 7.80711 8.61077 3.00605 7.8598 numMergedOcc 0
115 mol 266 unq 16 iso 0 dist 9.11585 4.39553 9.9965 9.90506 8.75066 6.96692 numMergedOcc 0
116 mol 266 unq 17 iso 0 dist 9.11585 4.39553 9.9965 8.61077 3.00605 8.25286 numMergedOcc 0
117 mol 277 unq 0 iso 0 dist 9.07744 10.4629 6.79748 12.4905 3.75238 6.53598 numMergedOcc 0
118 mol 277 unq 1 iso 0 dist 8.42892 12.6492 6.79748 9.71221 3.75238 6.53598 numMergedOcc 0
119 mol 277 unq 2 iso 0 dist 8.90967 5.91105 6.79748 6.40861 3.75238 6.53598 numMergedOcc 0
120 mol 277 unq 3 iso 0 dist 6.40861 5.91105 6.53598 8.90967 3.75238 6.79748 numMergedOcc 0
121 mol 281 unq 0 iso 0 dist 9.39268 10.4439 6.69267 12.8134 3.77058 6.56886 numMergedOcc 0
122 mol 281 unq 1 iso 0 dist 9.06888 6.28551 6.69267 6.62682 3.77058 6.56886 numMergedOcc 0
123 mol 281 unq 2 iso 0 dist 6.62682 6.28551 6.56886 9.06888 3.77058 6.69267 numMergedOcc 0
