0 mol 5 unq 0 iso 0 dist 9.45559 8.41594 7.64769 12.663 8.31759 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.45559 12.663 8.31759 8.41594 7.64769 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 7.4332 8.41594 9.70883 11.6739 9.65565 16.0393 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 7.4332 11.6739 9.65565 8.41594 9.70883 16.0393 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 7.7871 11.1346 8.53424 10.8275 7.08766 3.70336 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 7.7871 10.8275 7.08766 11.1346 8.53424 3.70336 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.7871 11.1346 8.53424 7.90018 4.82199 5.1533 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 7.7871 7.90018 4.82199 11.1346 8.53424 5.1533 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 7.7871 10.8275 7.08766 7.90018 4.82199 3.0988 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 7.7871 7.90018 4.82199 10.8275 7.08766 3.0988 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 7.88072 4.83638 9.63882 5.2103 6.87277 6.09772 numMergedOcc 0
11 mol 30 unq 0 iso 1 dist 7.88072 5.2103 6.87277 4.83638 9.63882 6.09772 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 9.53255 8.96151 6.87266 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 5.43913 9.53255 8.96151 5.39197 8.65524 6.87266 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 5.43913 5.39197 8.65524 7.75132 9.02535 4.62605 numMergedOcc 0
15 mol 48 unq 1 iso 1 dist 5.43913 7.75132 9.02535 5.39197 8.65524 4.62605 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 5.43913 9.53255 8.96151 7.75132 9.02535 3.23184 numMergedOcc 0
17 mol 48 unq 1 iso 1 dist 5.43913 7.75132 9.02535 9.53255 8.96151 3.23184 numMergedOcc 0
18 mol 48 unq 2 iso 0 dist 8.26877 5.39197 8.22812 9.53255 4.22002 6.87266 numMergedOcc 0
19 mol 48 unq 2 iso 1 dist 8.26877 9.53255 4.22002 5.39197 8.22812 6.87266 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 8.26877 5.39197 8.22812 7.75132 5.77855 4.62605 numMergedOcc 0
21 mol 48 unq 3 iso 1 dist 8.26877 7.75132 5.77855 5.39197 8.22812 4.62605 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 8.26877 5.39197 8.22812 14.2848 8.10774 10.9047 numMergedOcc 0
23 mol 48 unq 4 iso 1 dist 8.26877 14.2848 8.10774 5.39197 8.22812 10.9047 numMergedOcc 0
24 mol 48 unq 5 iso 0 dist 8.26877 5.39197 8.22812 12.4977 6.5241 10.1674 numMergedOcc 0
25 mol 48 unq 5 iso 1 dist 8.26877 12.4977 6.5241 5.39197 8.22812 10.1674 numMergedOcc 0
26 mol 48 unq 3 iso 0 dist 8.26877 9.53255 4.22002 7.75132 5.77855 3.23184 numMergedOcc 0
27 mol 48 unq 3 iso 1 dist 8.26877 7.75132 5.77855 9.53255 4.22002 3.23184 numMergedOcc 0
28 mol 48 unq 4 iso 0 dist 8.26877 9.53255 4.22002 14.2848 8.10774 4.78728 numMergedOcc 0
29 mol 48 unq 4 iso 1 dist 8.26877 14.2848 8.10774 9.53255 4.22002 4.78728 numMergedOcc 0
30 mol 48 unq 5 iso 0 dist 8.26877 9.53255 4.22002 12.4977 6.5241 5.61785 numMergedOcc 0
31 mol 48 unq 5 iso 1 dist 8.26877 12.4977 6.5241 9.53255 4.22002 5.61785 numMergedOcc 0
32 mol 48 unq 4 iso 0 dist 8.26877 7.75132 5.77855 14.2848 8.10774 7.18912 numMergedOcc 0
33 mol 48 unq 4 iso 1 dist 8.26877 14.2848 8.10774 7.75132 5.77855 7.18912 numMergedOcc 0
34 mol 48 unq 5 iso 0 dist 8.26877 7.75132 5.77855 12.4977 6.5241 8.43495 numMergedOcc 0
35 mol 48 unq 5 iso 1 dist 8.26877 12.4977 6.5241 7.75132 5.77855 8.43495 numMergedOcc 0
36 mol 48 unq 5 iso 0 dist 8.26877 14.2848 8.10774 12.4977 6.5241 6.20957 numMergedOcc 0
37 mol 48 unq 5 iso 1 dist 8.26877 12.4977 6.5241 14.2848 8.10774 6.20957 numMergedOcc 0
38 mol 48 unq 6 iso 0 dist 7.99434 12.2756 8.22812 8.12843 4.22002 6.87266 numMergedOcc 0
39 mol 48 unq 6 iso 1 dist 7.99434 8.12843 4.22002 12.2756 8.22812 6.87266 numMergedOcc 0
40 mol 48 unq 7 iso 0 dist 7.99434 12.2756 8.22812 8.16676 5.77855 4.62605 numMergedOcc 0
41 mol 48 unq 7 iso 1 dist 7.99434 8.16676 5.77855 12.2756 8.22812 4.62605 numMergedOcc 0
42 mol 48 unq 8 iso 0 dist 7.99434 12.2756 8.22812 9.72202 8.10774 10.9047 numMergedOcc 0
43 mol 48 unq 8 iso 1 dist 7.99434 9.72202 8.10774 12.2756 8.22812 10.9047 numMergedOcc 0
44 mol 48 unq 9 iso 0 dist 7.99434 12.2756 8.22812 12.7252 6.5241 10.1674 numMergedOcc 0
45 mol 48 unq 9 iso 1 dist 7.99434 12.7252 6.5241 12.2756 8.22812 10.1674 numMergedOcc 0
46 mol 48 unq 7 iso 0 dist 7.99434 8.12843 4.22002 8.16676 5.77855 3.23184 numMergedOcc 0
47 mol 48 unq 7 iso 1 dist 7.99434 8.16676 5.77855 8.12843 4.22002 3.23184 numMergedOcc 0
48 mol 48 unq 8 iso 0 dist 7.99434 8.12843 4.22002 9.72202 8.10774 4.78728 numMergedOcc 0
49 mol 48 unq 8 iso 1 dist 7.99434 9.72202 8.10774 8.12843 4.22002 4.78728 numMergedOcc 0
50 mol 48 unq 9 iso 0 dist 7.99434 8.12843 4.22002 12.7252 6.5241 5.61785 numMergedOcc 0
51 mol 48 unq 9 iso 1 dist 7.99434 12.7252 6.5241 8.12843 4.22002 5.61785 numMergedOcc 0
52 mol 48 unq 8 iso 0 dist 7.99434 8.16676 5.77855 9.72202 8.10774 7.18912 numMergedOcc 0
53 mol 48 unq 8 iso 1 dist 7.99434 9.72202 8.10774 8.16676 5.77855 7.18912 numMergedOcc 0
54 mol 48 unq 9 iso 0 dist 7.99434 8.16676 5.77855 12.7252 6.5241 8.43495 numMergedOcc 0
55 mol 48 unq 9 iso 1 dist 7.99434 12.7252 6.5241 8.16676 5.77855 8.43495 numMergedOcc 0
56 mol 48 unq 9 iso 0 dist 7.99434 9.72202 8.10774 12.7252 6.5241 6.20957 numMergedOcc 0
57 mol 48 unq 9 iso 1 dist 7.99434 12.7252 6.5241 9.72202 8.10774 6.20957 numMergedOcc 0
58 mol 48 unq 10 iso 0 dist 7.49794 13.819 8.14245 11.8742 6.36817 6.29252 numMergedOcc 0
59 mol 48 unq 10 iso 1 dist 7.49794 11.8742 6.36817 13.819 8.14245 6.29252 numMergedOcc 0
60 mol 48 unq 11 iso 0 dist 7.49794 13.819 8.14245 5.44298 8.0812 10.8994 numMergedOcc 0
61 mol 48 unq 11 iso 1 dist 7.49794 5.44298 8.0812 13.819 8.14245 10.8994 numMergedOcc 0
62 mol 48 unq 12 iso 0 dist 7.49794 13.819 8.14245 9.10301 4.17933 4.73799 numMergedOcc 0
63 mol 48 unq 12 iso 1 dist 7.49794 9.10301 4.17933 13.819 8.14245 4.73799 numMergedOcc 0
64 mol 48 unq 13 iso 0 dist 7.49794 13.819 8.14245 7.24268 5.54893 7.19576 numMergedOcc 0
65 mol 48 unq 13 iso 1 dist 7.49794 7.24268 5.54893 13.819 8.14245 7.19576 numMergedOcc 0
66 mol 48 unq 11 iso 0 dist 7.49794 11.8742 6.36817 5.44298 8.0812 9.94041 numMergedOcc 0
67 mol 48 unq 11 iso 1 dist 7.49794 5.44298 8.0812 11.8742 6.36817 9.94041 numMergedOcc 0
68 mol 48 unq 12 iso 0 dist 7.49794 11.8742 6.36817 9.10301 4.17933 5.553 numMergedOcc 0
69 mol 48 unq 12 iso 1 dist 7.49794 9.10301 4.17933 11.8742 6.36817 5.553 numMergedOcc 0
70 mol 48 unq 13 iso 0 dist 7.49794 11.8742 6.36817 7.24268 5.54893 8.14415 numMergedOcc 0
71 mol 48 unq 13 iso 1 dist 7.49794 7.24268 5.54893 11.8742 6.36817 8.14415 numMergedOcc 0
72 mol 48 unq 12 iso 0 dist 7.49794 5.44298 8.0812 9.10301 4.17933 6.96103 numMergedOcc 0
73 mol 48 unq 12 iso 1 dist 7.49794 9.10301 4.17933 5.44298 8.0812 6.96103 numMergedOcc 0
74 mol 48 unq 13 iso 0 dist 7.49794 5.44298 8.0812 7.24268 5.54893 4.54874 numMergedOcc 0
75 mol 48 unq 13 iso 1 dist 7.49794 7.24268 5.54893 5.44298 8.0812 4.54874 numMergedOcc 0
76 mol 48 unq 13 iso 0 dist 7.49794 9.10301 4.17933 7.24268 5.54893 3.18526 numMergedOcc 0
77 mol 48 unq 13 iso 1 dist 7.49794 7.24268 5.54893 9.10301 4.17933 3.18526 numMergedOcc 0
78 mol 48 unq 14 iso 0 dist 8.10222 9.57893 8.14245 12.6437 6.36817 6.29252 numMergedOcc 0
79 mol 48 unq 14 iso 1 dist 8.10222 12.6437 6.36817 9.57893 8.14245 6.29252 numMergedOcc 0
80 mol 48 unq 15 iso 0 dist 8.10222 9.57893 8.14245 12.0687 8.0812 10.8994 numMergedOcc 0
81 mol 48 unq 15 iso 1 dist 8.10222 12.0687 8.0812 9.57893 8.14245 10.8994 numMergedOcc 0
82 mol 48 unq 16 iso 0 dist 8.10222 9.57893 8.14245 7.88988 4.17933 4.73799 numMergedOcc 0
83 mol 48 unq 16 iso 1 dist 8.10222 7.88988 4.17933 9.57893 8.14245 4.73799 numMergedOcc 0
84 mol 48 unq 17 iso 0 dist 8.10222 9.57893 8.14245 8.00934 5.54893 7.19576 numMergedOcc 0
85 mol 48 unq 17 iso 1 dist 8.10222 8.00934 5.54893 9.57893 8.14245 7.19576 numMergedOcc 0
86 mol 48 unq 15 iso 0 dist 8.10222 12.6437 6.36817 12.0687 8.0812 9.94041 numMergedOcc 0
87 mol 48 unq 15 iso 1 dist 8.10222 12.0687 8.0812 12.6437 6.36817 9.94041 numMergedOcc 0
88 mol 48 unq 16 iso 0 dist 8.10222 12.6437 6.36817 7.88988 4.17933 5.553 numMergedOcc 0
89 mol 48 unq 16 iso 1 dist 8.10222 7.88988 4.17933 12.6437 6.36817 5.553 numMergedOcc 0
90 mol 48 unq 17 iso 0 dist 8.10222 12.6437 6.36817 8.00934 5.54893 8.14415 numMergedOcc 0
91 mol 48 unq 17 iso 1 dist 8.10222 8.00934 5.54893 12.6437 6.36817 8.14415 numMergedOcc 0
92 mol 48 unq 16 iso 0 dist 8.10222 12.0687 8.0812 7.88988 4.17933 6.96103 numMergedOcc 0
93 mol 48 unq 16 iso 1 dist 8.10222 7.88988 4.17933 12.0687 8.0812 6.96103 numMergedOcc 0
94 mol 48 unq 17 iso 0 dist 8.10222 12.0687 8.0812 8.00934 5.54893 4.54874 numMergedOcc 0
95 mol 48 unq 17 iso 1 dist 8.10222 8.00934 5.54893 12.0687 8.0812 4.54874 numMergedOcc 0
96 mol 48 unq 17 iso 0 dist 8.10222 7.88988 4.17933 8.00934 5.54893 3.18526 numMergedOcc 0
97 mol 48 unq 17 iso 1 dist 8.10222 8.00934 5.54893 7.88988 4.17933 3.18526 numMergedOcc 0
98 mol 63 unq 0 iso 0 dist 6.89855 5.04771 8.14512 9.54378 9.13228 13.0286 numMergedOcc 0
99 mol 63 unq 0 iso 1 dist 6.89855 9.54378 9.13228 5.04771 8.14512 13.0286 numMergedOcc 0
100 mol 63 unq 1 iso 0 dist 7.85738 9.28052 8.14512 4.44607 9.13228 13.0286 numMergedOcc 0
101 mol 63 unq 1 iso 1 dist 7.85738 4.44607 9.13228 9.28052 8.14512 13.0286 numMergedOcc 0
102 mol 76 unq 0 iso 0 dist 5.91098 11.6853 7.66068 15.0489 9.5043 6.98219 numMergedOcc 0
103 mol 76 unq 0 iso 1 dist 5.91098 15.0489 9.5043 11.6853 7.66068 6.98219 numMergedOcc 0
104 mol 76 unq 1 iso 0 dist 5.91098 11.6853 7.66068 14.2393 8.34132 8.74837 numMergedOcc 0
105 mol 76 unq 1 iso 1 dist 5.91098 14.2393 8.34132 11.6853 7.66068 8.74837 numMergedOcc 0
106 mol 76 unq 1 iso 0 dist 5.91098 15.0489 9.5043 14.2393 8.34132 4.82479 numMergedOcc 0
107 mol 76 unq 1 iso 1 dist 5.91098 14.2393 8.34132 15.0489 9.5043 4.82479 numMergedOcc 0
108 mol 76 unq 2 iso 0 dist 4.86523 4.94673 7.66068 5.78236 9.5043 6.98219 numMergedOcc 0
109 mol 76 unq 2 iso 1 dist 4.86523 5.78236 9.5043 4.94673 7.66068 6.98219 numMergedOcc 0
110 mol 76 unq 3 iso 0 dist 4.86523 4.94673 7.66068 4.73151 8.34132 8.74837 numMergedOcc 0
111 mol 76 unq 3 iso 1 dist 4.86523 4.73151 8.34132 4.94673 7.66068 8.74837 numMergedOcc 0
112 mol 76 unq 3 iso 0 dist 4.86523 5.78236 9.5043 4.73151 8.34132 4.82479 numMergedOcc 0
113 mol 76 unq 3 iso 1 dist 4.86523 4.73151 8.34132 5.78236 9.5043 4.82479 numMergedOcc 0
114 mol 78 unq 0 iso 0 dist 6.11101 5.72585 9.07629 7.38398 8.61143 8.09729 numMergedOcc 0
115 mol 78 unq 0 iso 1 dist 6.11101 7.38398 8.61143 5.72585 9.07629 8.09729 numMergedOcc 0
116 mol 79 unq 0 iso 0 dist 7.75543 6.51961 4.15789 4.08459 4.808 5.30569 numMergedOcc 0
117 mol 79 unq 0 iso 1 dist 7.75543 4.08459 4.808 6.51961 4.15789 5.30569 numMergedOcc 0
118 mol 83 unq 0 iso 0 dist 7.69755 4.12785 7.50925 6.83349 6.96722 6.91034 numMergedOcc 0
119 mol 83 unq 0 iso 1 dist 7.69755 6.83349 6.96722 4.12785 7.50925 6.91034 numMergedOcc 0
120 mol 83 unq 1 iso 0 dist 9.64197 9.58199 7.50925 8.6522 6.96722 6.91034 numMergedOcc 0
121 mol 83 unq 1 iso 1 dist 9.64197 8.6522 6.96722 9.58199 7.50925 6.91034 numMergedOcc 0
122 mol 85 unq 0 iso 0 dist 8.66427 6.77316 7.91193 5.26904 7.07839 3.24037 numMergedOcc 0
123 mol 85 unq 0 iso 1 dist 8.66427 5.26904 7.07839 6.77316 7.91193 3.24037 numMergedOcc 0
124 mol 85 unq 1 iso 0 dist 8.66427 6.77316 7.91193 11.9441 9.09711 5.44737 numMergedOcc 0
125 mol 85 unq 1 iso 1 dist 8.66427 11.9441 9.09711 6.77316 7.91193 5.44737 numMergedOcc 0
126 mol 85 unq 2 iso 0 dist 8.66427 6.77316 7.91193 13.8217 7.04244 11.3346 numMergedOcc 0
127 mol 85 unq 2 iso 1 dist 8.66427 13.8217 7.04244 6.77316 7.91193 11.3346 numMergedOcc 0
128 mol 85 unq 3 iso 0 dist 8.66427 6.77316 7.91193 9.54731 9.63449 14.2704 numMergedOcc 0
129 mol 85 unq 3 iso 1 dist 8.66427 9.54731 9.63449 6.77316 7.91193 14.2704 numMergedOcc 0
130 mol 85 unq 1 iso 0 dist 8.66427 5.26904 7.07839 11.9441 9.09711 7.6242 numMergedOcc 0
131 mol 85 unq 1 iso 1 dist 8.66427 11.9441 9.09711 5.26904 7.07839 7.6242 numMergedOcc 0
132 mol 85 unq 2 iso 0 dist 8.66427 5.26904 7.07839 13.8217 7.04244 10.1082 numMergedOcc 0
133 mol 85 unq 2 iso 1 dist 8.66427 13.8217 7.04244 5.26904 7.07839 10.1082 numMergedOcc 0
134 mol 85 unq 3 iso 0 dist 8.66427 5.26904 7.07839 9.54731 9.63449 12.8332 numMergedOcc 0
135 mol 85 unq 3 iso 1 dist 8.66427 9.54731 9.63449 5.26904 7.07839 12.8332 numMergedOcc 0
136 mol 85 unq 2 iso 0 dist 8.66427 11.9441 9.09711 13.8217 7.04244 10.1757 numMergedOcc 0
137 mol 85 unq 2 iso 1 dist 8.66427 13.8217 7.04244 11.9441 9.09711 10.1757 numMergedOcc 0
138 mol 85 unq 3 iso 0 dist 8.66427 11.9441 9.09711 9.54731 9.63449 17.7038 numMergedOcc 0
139 mol 85 unq 3 iso 1 dist 8.66427 9.54731 9.63449 11.9441 9.09711 17.7038 numMergedOcc 0
140 mol 85 unq 3 iso 0 dist 8.66427 13.8217 7.04244 9.54731 9.63449 15.509 numMergedOcc 0
141 mol 85 unq 3 iso 1 dist 8.66427 9.54731 9.63449 13.8217 7.04244 15.509 numMergedOcc 0
142 mol 85 unq 4 iso 0 dist 7.51319 6.90443 6.67137 17.0873 9.78707 15.509 numMergedOcc 0
143 mol 85 unq 4 iso 1 dist 7.51319 17.0873 9.78707 6.90443 6.67137 15.509 numMergedOcc 0
144 mol 85 unq 5 iso 0 dist 8.49887 13.1772 7.91193 13.5026 7.07839 3.24037 numMergedOcc 0
145 mol 85 unq 5 iso 1 dist 8.49887 13.5026 7.07839 13.1772 7.91193 3.24037 numMergedOcc 0
146 mol 85 unq 6 iso 0 dist 8.49887 13.1772 7.91193 10.1386 9.09711 5.44737 numMergedOcc 0
147 mol 85 unq 6 iso 1 dist 8.49887 10.1386 9.09711 13.1772 7.91193 5.44737 numMergedOcc 0
148 mol 85 unq 7 iso 0 dist 8.49887 13.1772 7.91193 6.90443 7.04244 11.3346 numMergedOcc 0
149 mol 85 unq 7 iso 1 dist 8.49887 6.90443 7.04244 13.1772 7.91193 11.3346 numMergedOcc 0
150 mol 85 unq 8 iso 0 dist 8.49887 13.1772 7.91193 17.0873 9.63449 14.2704 numMergedOcc 0
151 mol 85 unq 8 iso 1 dist 8.49887 17.0873 9.63449 13.1772 7.91193 14.2704 numMergedOcc 0
152 mol 85 unq 6 iso 0 dist 8.49887 13.5026 7.07839 10.1386 9.09711 7.6242 numMergedOcc 0
153 mol 85 unq 6 iso 1 dist 8.49887 10.1386 9.09711 13.5026 7.07839 7.6242 numMergedOcc 0
154 mol 85 unq 7 iso 0 dist 8.49887 13.5026 7.07839 6.90443 7.04244 10.1082 numMergedOcc 0
155 mol 85 unq 7 iso 1 dist 8.49887 6.90443 7.04244 13.5026 7.07839 10.1082 numMergedOcc 0
156 mol 85 unq 8 iso 0 dist 8.49887 13.5026 7.07839 17.0873 9.63449 12.8332 numMergedOcc 0
157 mol 85 unq 8 iso 1 dist 8.49887 17.0873 9.63449 13.5026 7.07839 12.8332 numMergedOcc 0
158 mol 85 unq 7 iso 0 dist 8.49887 10.1386 9.09711 6.90443 7.04244 10.1757 numMergedOcc 0
159 mol 85 unq 7 iso 1 dist 8.49887 6.90443 7.04244 10.1386 9.09711 10.1757 numMergedOcc 0
160 mol 85 unq 8 iso 0 dist 8.49887 10.1386 9.09711 17.0873 9.63449 17.7038 numMergedOcc 0
161 mol 85 unq 8 iso 1 dist 8.49887 17.0873 9.63449 10.1386 9.09711 17.7038 numMergedOcc 0
162 mol 85 unq 8 iso 0 dist 8.49887 6.90443 7.04244 17.0873 9.63449 15.509 numMergedOcc 0
163 mol 85 unq 8 iso 1 dist 8.49887 17.0873 9.63449 6.90443 7.04244 15.509 numMergedOcc 0
164 mol 85 unq 9 iso 0 dist 9.43839 14.6513 6.67137 4.43737 9.78707 15.509 numMergedOcc 0
165 mol 85 unq 9 iso 1 dist 9.43839 4.43737 9.78707 14.6513 6.67137 15.509 numMergedOcc 0
166 mol 93 unq 0 iso 0 dist 5.23929 4.90515 5.20429 5.08254 8.71366 9.47916 numMergedOcc 0
167 mol 93 unq 0 iso 1 dist 5.23929 5.08254 8.71366 4.90515 5.20429 9.47916 numMergedOcc 0
168 mol 107 unq 0 iso 0 dist 7.2168 8.41816 8.88124 15.3177 8.19484 13.5807 numMergedOcc 0
169 mol 107 unq 0 iso 1 dist 7.2168 15.3177 8.19484 8.41816 8.88124 13.5807 numMergedOcc 0
170 mol 111 unq 0 iso 0 dist 8.11813 6.42834 4.91212 15.1151 9.34782 8.72808 numMergedOcc 0
171 mol 111 unq 0 iso 1 dist 8.11813 15.1151 9.34782 6.42834 4.91212 8.72808 numMergedOcc 0
172 mol 186 unq 0 iso 0 dist 4.79423 5.86994 7.25595 8.74892 9.94825 12.8007 numMergedOcc 0
173 mol 186 unq 0 iso 1 dist 4.79423 8.74892 9.94825 5.86994 7.25595 12.8007 numMergedOcc 0
174 mol 193 unq 0 iso 0 dist 9.13587 16.5276 8.30069 15.3446 8.83551 4.75086 numMergedOcc 0
175 mol 193 unq 0 iso 1 dist 9.13587 15.3446 8.83551 16.5276 8.30069 4.75086 numMergedOcc 0
176 mol 194 unq 0 iso 0 dist 9.81055 11.7008 4.68722 14.7138 5.18325 5.61057 numMergedOcc 0
177 mol 194 unq 0 iso 1 dist 9.81055 14.7138 5.18325 11.7008 4.68722 5.61057 numMergedOcc 0
178 mol 204 unq 0 iso 0 dist 8.77524 10.6524 8.32259 9.88337 9.93489 2.95898 numMergedOcc 0
179 mol 204 unq 0 iso 1 dist 8.77524 9.88337 9.93489 10.6524 8.32259 2.95898 numMergedOcc 0
180 mol 204 unq 1 iso 0 dist 9.26192 13.8736 9.93489 6.40044 7.64057 8.59834 numMergedOcc 0
181 mol 204 unq 1 iso 1 dist 9.26192 6.40044 7.64057 13.8736 9.93489 8.59834 numMergedOcc 0
182 mol 254 unq 0 iso 0 dist 9.84028 11.4342 7.85841 11.2466 9.20109 3.15539 numMergedOcc 0
183 mol 254 unq 0 iso 1 dist 9.84028 11.2466 9.20109 11.4342 7.85841 3.15539 numMergedOcc 0
184 mol 266 unq 0 iso 0 dist 6.48382 5.79323 6.96692 7.52317 8.25286 5.76129 numMergedOcc 0
185 mol 266 unq 0 iso 1 dist 6.48382 7.52317 8.25286 5.79323 6.96692 5.76129 numMergedOcc 0
186 mol 266 unq 1 iso 0 dist 6.48382 5.79323 6.96692 9.52953 9.9965 8.75066 numMergedOcc 0
187 mol 266 unq 1 iso 1 dist 6.48382 9.52953 9.9965 5.79323 6.96692 8.75066 numMergedOcc 0
188 mol 266 unq 1 iso 0 dist 6.48382 7.52317 8.25286 9.52953 9.9965 3.00605 numMergedOcc 0
189 mol 266 unq 1 iso 1 dist 6.48382 9.52953 9.9965 7.52317 8.25286 3.00605 numMergedOcc 0
190 mol 266 unq 2 iso 0 dist 7.36137 12.2408 7.8598 13.1028 8.25286 11.938 numMergedOcc 0
191 mol 266 unq 2 iso 1 dist 7.36137 13.1028 8.25286 12.2408 7.8598 11.938 numMergedOcc 0
192 mol 266 unq 3 iso 0 dist 6.83784 5.34431 7.8598 8.39575 8.25286 11.938 numMergedOcc 0
193 mol 266 unq 3 iso 1 dist 6.83784 8.39575 8.25286 5.34431 7.8598 11.938 numMergedOcc 0
194 mol 266 unq 4 iso 0 dist 4.95415 12.2408 7.80711 13.1028 9.9965 11.938 numMergedOcc 0
195 mol 266 unq 4 iso 1 dist 4.95415 13.1028 9.9965 12.2408 7.80711 11.938 numMergedOcc 0
196 mol 266 unq 5 iso 0 dist 6.38519 5.34431 7.80711 8.39575 9.9965 11.938 numMergedOcc 0
197 mol 266 unq 5 iso 1 dist 6.38519 8.39575 9.9965 5.34431 7.80711 11.938 numMergedOcc 0
