0 mol 5 unq 0 iso 0 dist 7.56866 6.62108 8.68577 6.81491 8.13672 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 7.56866 6.81491 8.13672 6.62108 8.68577 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 9.22067 6.62108 9.70883 12.0343 9.65565 16.0393 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 9.22067 12.0343 9.65565 6.62108 9.70883 16.0393 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 8.49537 14.7887 9.70883 8.65468 9.65565 16.0393 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 8.49537 8.65468 9.65565 14.7887 9.70883 16.0393 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 7.44805 6.81182 3.77542 16.1056 9.97314 9.4824 numMergedOcc 0
7 mol 46 unq 0 iso 1 dist 7.44805 16.1056 9.97314 6.81182 3.77542 9.4824 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.55284 6.25072 5.54472 3.72926 8.62369 3.86264 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 9.55284 3.72926 8.62369 6.25072 5.54472 3.86264 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 9.55284 6.25072 5.54472 8.48678 6.5241 8.66712 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 9.55284 8.48678 6.5241 6.25072 5.54472 8.66712 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 9.55284 3.72926 8.62369 8.48678 6.5241 9.07711 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 9.55284 8.48678 6.5241 3.72926 8.62369 9.07711 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 7.33788 7.0331 8.96151 3.85292 4.22002 5.62671 numMergedOcc 0
15 mol 48 unq 2 iso 1 dist 7.33788 3.85292 4.22002 7.0331 8.96151 5.62671 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.36877 6.64874 5.54472 5.68077 8.62369 3.86264 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 7.36877 5.68077 8.62369 6.64874 5.54472 3.86264 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 7.36877 6.64874 5.54472 3.85292 6.5241 8.66712 numMergedOcc 0
19 mol 48 unq 4 iso 1 dist 7.36877 3.85292 6.5241 6.64874 5.54472 8.66712 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 7.36877 5.68077 8.62369 3.85292 6.5241 9.07711 numMergedOcc 0
21 mol 48 unq 4 iso 1 dist 7.36877 3.85292 6.5241 5.68077 8.62369 9.07711 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 8.52681 10.4499 8.96151 6.44604 4.22002 5.62671 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 8.52681 6.44604 4.22002 10.4499 8.96151 5.62671 numMergedOcc 0
24 mol 48 unq 6 iso 0 dist 6.89752 6.42565 5.37439 5.7824 8.3714 3.69391 numMergedOcc 0
25 mol 48 unq 6 iso 1 dist 6.89752 5.7824 8.3714 6.42565 5.37439 3.69391 numMergedOcc 0
26 mol 48 unq 7 iso 0 dist 6.89752 6.42565 5.37439 3.72746 6.36817 8.61401 numMergedOcc 0
27 mol 48 unq 7 iso 1 dist 6.89752 3.72746 6.36817 6.42565 5.37439 8.61401 numMergedOcc 0
28 mol 48 unq 7 iso 0 dist 6.89752 5.7824 8.3714 3.72746 6.36817 9.16142 numMergedOcc 0
29 mol 48 unq 7 iso 1 dist 6.89752 3.72746 6.36817 5.7824 8.3714 9.16142 numMergedOcc 0
30 mol 78 unq 0 iso 0 dist 7.50229 7.86077 8.61143 7.92963 8.79979 11.9667 numMergedOcc 0
31 mol 78 unq 0 iso 1 dist 7.50229 7.92963 8.79979 7.86077 8.61143 11.9667 numMergedOcc 0
32 mol 79 unq 0 iso 0 dist 6.64921 4.15002 4.15789 9.36535 4.808 5.30569 numMergedOcc 0
33 mol 79 unq 0 iso 1 dist 6.64921 9.36535 4.808 4.15002 4.15789 5.30569 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 8.67342 4.8069 6.67137 18.1303 9.78707 15.509 numMergedOcc 0
35 mol 85 unq 0 iso 1 dist 8.67342 18.1303 9.78707 4.8069 6.67137 15.509 numMergedOcc 0
36 mol 85 unq 1 iso 0 dist 8.60062 10.9585 7.91193 11.1042 7.07839 3.24037 numMergedOcc 0
37 mol 85 unq 1 iso 1 dist 8.60062 11.1042 7.07839 10.9585 7.91193 3.24037 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 8.60062 10.9585 7.91193 7.55572 9.09711 5.44737 numMergedOcc 0
39 mol 85 unq 2 iso 1 dist 8.60062 7.55572 9.09711 10.9585 7.91193 5.44737 numMergedOcc 0
40 mol 85 unq 3 iso 0 dist 8.60062 10.9585 7.91193 4.8069 7.04244 11.3346 numMergedOcc 0
41 mol 85 unq 3 iso 1 dist 8.60062 4.8069 7.04244 10.9585 7.91193 11.3346 numMergedOcc 0
42 mol 85 unq 4 iso 0 dist 8.60062 10.9585 7.91193 18.1303 9.63449 14.2704 numMergedOcc 0
43 mol 85 unq 4 iso 1 dist 8.60062 18.1303 9.63449 10.9585 7.91193 14.2704 numMergedOcc 0
44 mol 85 unq 2 iso 0 dist 8.60062 11.1042 7.07839 7.55572 9.09711 7.6242 numMergedOcc 0
45 mol 85 unq 2 iso 1 dist 8.60062 7.55572 9.09711 11.1042 7.07839 7.6242 numMergedOcc 0
46 mol 85 unq 3 iso 0 dist 8.60062 11.1042 7.07839 4.8069 7.04244 10.1082 numMergedOcc 0
47 mol 85 unq 3 iso 1 dist 8.60062 4.8069 7.04244 11.1042 7.07839 10.1082 numMergedOcc 0
48 mol 85 unq 4 iso 0 dist 8.60062 11.1042 7.07839 18.1303 9.63449 12.8332 numMergedOcc 0
49 mol 85 unq 4 iso 1 dist 8.60062 18.1303 9.63449 11.1042 7.07839 12.8332 numMergedOcc 0
50 mol 85 unq 3 iso 0 dist 8.60062 7.55572 9.09711 4.8069 7.04244 10.1757 numMergedOcc 0
51 mol 85 unq 3 iso 1 dist 8.60062 4.8069 7.04244 7.55572 9.09711 10.1757 numMergedOcc 0
52 mol 85 unq 4 iso 0 dist 8.60062 7.55572 9.09711 18.1303 9.63449 17.7038 numMergedOcc 0
53 mol 85 unq 4 iso 1 dist 8.60062 18.1303 9.63449 7.55572 9.09711 17.7038 numMergedOcc 0
54 mol 85 unq 4 iso 0 dist 8.60062 4.8069 7.04244 18.1303 9.63449 15.509 numMergedOcc 0
55 mol 85 unq 4 iso 1 dist 8.60062 18.1303 9.63449 4.8069 7.04244 15.509 numMergedOcc 0
56 mol 85 unq 5 iso 0 dist 5.73739 10.0178 6.67137 12.1664 9.78707 15.509 numMergedOcc 0
57 mol 85 unq 5 iso 1 dist 5.73739 12.1664 9.78707 10.0178 6.67137 15.509 numMergedOcc 0
58 mol 85 unq 6 iso 0 dist 5.16225 9.0874 7.91193 10.0529 7.07839 3.24037 numMergedOcc 0
59 mol 85 unq 6 iso 1 dist 5.16225 10.0529 7.07839 9.0874 7.91193 3.24037 numMergedOcc 0
60 mol 85 unq 7 iso 0 dist 5.16225 9.0874 7.91193 8.41797 9.09711 5.44737 numMergedOcc 0
61 mol 85 unq 7 iso 1 dist 5.16225 8.41797 9.09711 9.0874 7.91193 5.44737 numMergedOcc 0
62 mol 85 unq 8 iso 0 dist 5.16225 9.0874 7.91193 10.0178 7.04244 11.3346 numMergedOcc 0
63 mol 85 unq 8 iso 1 dist 5.16225 10.0178 7.04244 9.0874 7.91193 11.3346 numMergedOcc 0
64 mol 85 unq 9 iso 0 dist 5.16225 9.0874 7.91193 12.1664 9.63449 14.2704 numMergedOcc 0
65 mol 85 unq 9 iso 1 dist 5.16225 12.1664 9.63449 9.0874 7.91193 14.2704 numMergedOcc 0
66 mol 85 unq 7 iso 0 dist 5.16225 10.0529 7.07839 8.41797 9.09711 7.6242 numMergedOcc 0
67 mol 85 unq 7 iso 1 dist 5.16225 8.41797 9.09711 10.0529 7.07839 7.6242 numMergedOcc 0
68 mol 85 unq 8 iso 0 dist 5.16225 10.0529 7.07839 10.0178 7.04244 10.1082 numMergedOcc 0
69 mol 85 unq 8 iso 1 dist 5.16225 10.0178 7.04244 10.0529 7.07839 10.1082 numMergedOcc 0
70 mol 85 unq 9 iso 0 dist 5.16225 10.0529 7.07839 12.1664 9.63449 12.8332 numMergedOcc 0
71 mol 85 unq 9 iso 1 dist 5.16225 12.1664 9.63449 10.0529 7.07839 12.8332 numMergedOcc 0
72 mol 85 unq 8 iso 0 dist 5.16225 8.41797 9.09711 10.0178 7.04244 10.1757 numMergedOcc 0
73 mol 85 unq 8 iso 1 dist 5.16225 10.0178 7.04244 8.41797 9.09711 10.1757 numMergedOcc 0
74 mol 85 unq 9 iso 0 dist 5.16225 8.41797 9.09711 12.1664 9.63449 17.7038 numMergedOcc 0
75 mol 85 unq 9 iso 1 dist 5.16225 12.1664 9.63449 8.41797 9.09711 17.7038 numMergedOcc 0
76 mol 85 unq 9 iso 0 dist 5.16225 10.0178 7.04244 12.1664 9.63449 15.509 numMergedOcc 0
77 mol 85 unq 9 iso 1 dist 5.16225 12.1664 9.63449 10.0178 7.04244 15.509 numMergedOcc 0
78 mol 147 unq 0 iso 0 dist 6.52283 6.18105 3.82583 6.86255 5.19116 3.00464 numMergedOcc 0
79 mol 147 unq 0 iso 1 dist 6.52283 6.86255 5.19116 6.18105 3.82583 3.00464 numMergedOcc 0
80 mol 147 unq 1 iso 0 dist 6.42361 3.7035 3.82583 3.20279 8.25768 4.68125 numMergedOcc 0
81 mol 147 unq 1 iso 1 dist 6.42361 3.20279 8.25768 3.7035 3.82583 4.68125 numMergedOcc 0
82 mol 147 unq 2 iso 0 dist 7.4121 3.7035 5.19116 3.20279 8.71702 4.68125 numMergedOcc 0
83 mol 147 unq 2 iso 1 dist 7.4121 3.20279 8.71702 3.7035 5.19116 4.68125 numMergedOcc 0
84 mol 147 unq 3 iso 0 dist 7.97305 6.18105 8.25768 6.86255 8.71702 3.00464 numMergedOcc 0
85 mol 147 unq 3 iso 1 dist 7.97305 6.86255 8.71702 6.18105 8.25768 3.00464 numMergedOcc 0
86 mol 169 unq 0 iso 0 dist 6.27378 10.1931 5.10589 10.5136 4.63336 5.23644 numMergedOcc 0
87 mol 169 unq 0 iso 1 dist 6.27378 10.5136 4.63336 10.1931 5.10589 5.23644 numMergedOcc 0
88 mol 169 unq 1 iso 0 dist 6.27378 10.1931 5.10589 10.212 6.10715 7.52063 numMergedOcc 0
89 mol 169 unq 1 iso 1 dist 6.27378 10.212 6.10715 10.1931 5.10589 7.52063 numMergedOcc 0
90 mol 169 unq 1 iso 0 dist 6.27378 10.5136 4.63336 10.212 6.10715 3.74306 numMergedOcc 0
91 mol 169 unq 1 iso 1 dist 6.27378 10.212 6.10715 10.5136 4.63336 3.74306 numMergedOcc 0
92 mol 176 unq 0 iso 0 dist 9.60931 12.3453 8.65645 11.2094 6.85902 7.03525 numMergedOcc 0
93 mol 176 unq 0 iso 1 dist 9.60931 11.2094 6.85902 12.3453 8.65645 7.03525 numMergedOcc 0
94 mol 254 unq 0 iso 0 dist 9.83135 9.22906 7.85841 12.319 9.20109 3.15539 numMergedOcc 0
95 mol 254 unq 0 iso 1 dist 9.83135 12.319 9.20109 9.22906 7.85841 3.15539 numMergedOcc 0
96 mol 266 unq 0 iso 0 dist 7.74133 13.3554 6.96692 15.2892 8.25286 5.76129 numMergedOcc 0
97 mol 266 unq 0 iso 1 dist 7.74133 15.2892 8.25286 13.3554 6.96692 5.76129 numMergedOcc 0
98 mol 266 unq 1 iso 0 dist 7.74133 13.3554 6.96692 16.6916 9.9965 8.75066 numMergedOcc 0
99 mol 266 unq 1 iso 1 dist 7.74133 16.6916 9.9965 13.3554 6.96692 8.75066 numMergedOcc 0
100 mol 266 unq 1 iso 0 dist 7.74133 15.2892 8.25286 16.6916 9.9965 3.00605 numMergedOcc 0
101 mol 266 unq 1 iso 1 dist 7.74133 16.6916 9.9965 15.2892 8.25286 3.00605 numMergedOcc 0
102 mol 266 unq 2 iso 0 dist 6.39822 10.1418 7.8598 7.63149 8.25286 11.938 numMergedOcc 0
103 mol 266 unq 2 iso 1 dist 6.39822 7.63149 8.25286 10.1418 7.8598 11.938 numMergedOcc 0
104 mol 266 unq 3 iso 0 dist 8.61077 10.3155 7.8598 4.39553 8.25286 11.938 numMergedOcc 0
105 mol 266 unq 3 iso 1 dist 8.61077 4.39553 8.25286 10.3155 7.8598 11.938 numMergedOcc 0
106 mol 266 unq 4 iso 0 dist 5.36518 10.1418 7.80711 7.63149 9.9965 11.938 numMergedOcc 0
107 mol 266 unq 4 iso 1 dist 5.36518 7.63149 9.9965 10.1418 7.80711 11.938 numMergedOcc 0
108 mol 266 unq 5 iso 0 dist 9.11585 10.3155 7.80711 4.39553 9.9965 11.938 numMergedOcc 0
109 mol 266 unq 5 iso 1 dist 9.11585 4.39553 9.9965 10.3155 7.80711 11.938 numMergedOcc 0
110 mol 277 unq 0 iso 0 dist 9.07744 9.21484 7.98956 10.3506 5.86185 3.41319 numMergedOcc 0
111 mol 277 unq 0 iso 1 dist 9.07744 10.3506 5.86185 9.21484 7.98956 3.41319 numMergedOcc 0
112 mol 277 unq 1 iso 0 dist 9.07744 9.21484 7.98956 10.4629 6.79748 13.9697 numMergedOcc 0
113 mol 277 unq 1 iso 1 dist 9.07744 10.4629 6.79748 9.21484 7.98956 13.9697 numMergedOcc 0
114 mol 277 unq 1 iso 0 dist 9.07744 10.3506 5.86185 10.4629 6.79748 12.1514 numMergedOcc 0
115 mol 277 unq 1 iso 1 dist 9.07744 10.4629 6.79748 10.3506 5.86185 12.1514 numMergedOcc 0
116 mol 277 unq 2 iso 0 dist 8.42892 7.73174 7.98956 5.42115 5.86185 3.41319 numMergedOcc 0
117 mol 277 unq 2 iso 1 dist 8.42892 5.42115 5.86185 7.73174 7.98956 3.41319 numMergedOcc 0
118 mol 277 unq 3 iso 0 dist 8.42892 7.73174 7.98956 12.6492 6.79748 13.9697 numMergedOcc 0
119 mol 277 unq 3 iso 1 dist 8.42892 12.6492 6.79748 7.73174 7.98956 13.9697 numMergedOcc 0
120 mol 277 unq 3 iso 0 dist 8.42892 5.42115 5.86185 12.6492 6.79748 12.1514 numMergedOcc 0
121 mol 277 unq 3 iso 1 dist 8.42892 12.6492 6.79748 5.42115 5.86185 12.1514 numMergedOcc 0
122 mol 277 unq 4 iso 0 dist 8.90967 16.883 7.98956 14.5363 5.86185 3.41319 numMergedOcc 0
123 mol 277 unq 4 iso 1 dist 8.90967 14.5363 5.86185 16.883 7.98956 3.41319 numMergedOcc 0
124 mol 277 unq 5 iso 0 dist 8.90967 16.883 7.98956 5.91105 6.79748 13.9697 numMergedOcc 0
125 mol 277 unq 5 iso 1 dist 8.90967 5.91105 6.79748 16.883 7.98956 13.9697 numMergedOcc 0
126 mol 277 unq 5 iso 0 dist 8.90967 14.5363 5.86185 5.91105 6.79748 12.1514 numMergedOcc 0
127 mol 277 unq 5 iso 1 dist 8.90967 5.91105 6.79748 14.5363 5.86185 12.1514 numMergedOcc 0
128 mol 281 unq 0 iso 0 dist 9.39268 12.4082 7.90368 10.4439 6.69267 12.7734 numMergedOcc 0
129 mol 281 unq 0 iso 1 dist 9.39268 10.4439 6.69267 12.4082 7.90368 12.7734 numMergedOcc 0
130 mol 281 unq 1 iso 0 dist 9.06888 15.8562 7.90368 6.28551 6.69267 12.7734 numMergedOcc 0
131 mol 281 unq 1 iso 1 dist 9.06888 6.28551 6.69267 15.8562 7.90368 12.7734 numMergedOcc 0
132 mol 281 unq 2 iso 0 dist 6.62682 6.24691 5.33372 6.28551 6.56886 10.2487 numMergedOcc 0
133 mol 281 unq 2 iso 1 dist 6.62682 6.28551 6.56886 6.24691 5.33372 10.2487 numMergedOcc 0
