0 mol 5 unq 0 iso 0 dist 8.87945 6.98653 7.64769 10.4477 8.68577 3.50411 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 8.87945 10.4477 8.68577 6.98653 7.64769 3.50411 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 8.87945 6.98653 7.64769 9.22937 9.70883 4.84696 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 8.87945 9.22937 9.70883 6.98653 7.64769 4.84696 numMergedOcc 0
4 mol 5 unq 1 iso 0 dist 8.87945 10.4477 8.68577 9.22937 9.70883 5.30421 numMergedOcc 0
5 mol 5 unq 1 iso 1 dist 8.87945 9.22937 9.70883 10.4477 8.68577 5.30421 numMergedOcc 0
6 mol 5 unq 2 iso 0 dist 7.74636 5.31713 7.64769 7.84244 8.31759 4.73885 numMergedOcc 0
7 mol 5 unq 2 iso 1 dist 7.74636 7.84244 8.31759 5.31713 7.64769 4.73885 numMergedOcc 0
8 mol 5 unq 3 iso 0 dist 8.34817 13.2371 9.70883 3.24598 9.65565 16.0393 numMergedOcc 0
9 mol 5 unq 3 iso 1 dist 8.34817 3.24598 9.65565 13.2371 9.70883 16.0393 numMergedOcc 0
10 mol 28 unq 0 iso 0 dist 9.2146 16.4255 8.53424 16.0765 7.08766 3.70336 numMergedOcc 0
11 mol 28 unq 0 iso 1 dist 9.2146 16.0765 7.08766 16.4255 8.53424 3.70336 numMergedOcc 0
12 mol 28 unq 1 iso 0 dist 9.2146 16.4255 8.53424 13.6412 4.82199 5.1533 numMergedOcc 0
13 mol 28 unq 1 iso 1 dist 9.2146 13.6412 4.82199 16.4255 8.53424 5.1533 numMergedOcc 0
14 mol 28 unq 1 iso 0 dist 9.2146 16.0765 7.08766 13.6412 4.82199 3.0988 numMergedOcc 0
15 mol 28 unq 1 iso 1 dist 9.2146 13.6412 4.82199 16.0765 7.08766 3.0988 numMergedOcc 0
16 mol 30 unq 0 iso 0 dist 8.67216 3.08756 9.63882 3.30447 6.87277 6.09772 numMergedOcc 0
17 mol 30 unq 0 iso 1 dist 8.67216 3.30447 6.87277 3.08756 9.63882 6.09772 numMergedOcc 0
18 mol 46 unq 0 iso 0 dist 5.4713 6.08836 3.77542 14.1986 9.97314 9.4824 numMergedOcc 0
19 mol 46 unq 0 iso 1 dist 5.4713 14.1986 9.97314 6.08836 3.77542 9.4824 numMergedOcc 0
20 mol 48 unq 0 iso 0 dist 7.78689 9.26377 8.22812 4.88527 4.22002 6.87266 numMergedOcc 0
21 mol 48 unq 0 iso 1 dist 7.78689 4.88527 4.22002 9.26377 8.22812 6.87266 numMergedOcc 0
22 mol 48 unq 1 iso 0 dist 7.78689 9.26377 8.22812 4.76279 5.77855 4.62605 numMergedOcc 0
23 mol 48 unq 1 iso 1 dist 7.78689 4.76279 5.77855 9.26377 8.22812 4.62605 numMergedOcc 0
24 mol 48 unq 2 iso 0 dist 7.78689 9.26377 8.22812 5.56357 8.10774 10.9047 numMergedOcc 0
25 mol 48 unq 2 iso 1 dist 7.78689 5.56357 8.10774 9.26377 8.22812 10.9047 numMergedOcc 0
26 mol 48 unq 3 iso 0 dist 7.78689 9.26377 8.22812 9.94951 6.5241 10.1674 numMergedOcc 0
27 mol 48 unq 3 iso 1 dist 7.78689 9.94951 6.5241 9.26377 8.22812 10.1674 numMergedOcc 0
28 mol 48 unq 1 iso 0 dist 7.78689 4.88527 4.22002 4.76279 5.77855 3.23184 numMergedOcc 0
29 mol 48 unq 1 iso 1 dist 7.78689 4.76279 5.77855 4.88527 4.22002 3.23184 numMergedOcc 0
30 mol 48 unq 2 iso 0 dist 7.78689 4.88527 4.22002 5.56357 8.10774 4.78728 numMergedOcc 0
31 mol 48 unq 2 iso 1 dist 7.78689 5.56357 8.10774 4.88527 4.22002 4.78728 numMergedOcc 0
32 mol 48 unq 3 iso 0 dist 7.78689 4.88527 4.22002 9.94951 6.5241 5.61785 numMergedOcc 0
33 mol 48 unq 3 iso 1 dist 7.78689 9.94951 6.5241 4.88527 4.22002 5.61785 numMergedOcc 0
34 mol 48 unq 2 iso 0 dist 7.78689 4.76279 5.77855 5.56357 8.10774 7.18912 numMergedOcc 0
35 mol 48 unq 2 iso 1 dist 7.78689 5.56357 8.10774 4.76279 5.77855 7.18912 numMergedOcc 0
36 mol 48 unq 3 iso 0 dist 7.78689 4.76279 5.77855 9.94951 6.5241 8.43495 numMergedOcc 0
37 mol 48 unq 3 iso 1 dist 7.78689 9.94951 6.5241 4.76279 5.77855 8.43495 numMergedOcc 0
38 mol 48 unq 3 iso 0 dist 7.78689 5.56357 8.10774 9.94951 6.5241 6.20957 numMergedOcc 0
39 mol 48 unq 3 iso 1 dist 7.78689 9.94951 6.5241 5.56357 8.10774 6.20957 numMergedOcc 0
40 mol 48 unq 4 iso 0 dist 7.7927 4.10953 5.37439 5.70353 8.3714 3.69391 numMergedOcc 0
41 mol 48 unq 4 iso 1 dist 7.7927 5.70353 8.3714 4.10953 5.37439 3.69391 numMergedOcc 0
42 mol 48 unq 5 iso 0 dist 7.7927 4.10953 5.37439 11.246 6.36817 8.61401 numMergedOcc 0
43 mol 48 unq 5 iso 1 dist 7.7927 11.246 6.36817 4.10953 5.37439 8.61401 numMergedOcc 0
44 mol 48 unq 5 iso 0 dist 7.7927 5.70353 8.3714 11.246 6.36817 9.16142 numMergedOcc 0
45 mol 48 unq 5 iso 1 dist 7.7927 11.246 6.36817 5.70353 8.3714 9.16142 numMergedOcc 0
46 mol 48 unq 6 iso 0 dist 6.17378 5.46483 5.37439 7.86518 8.3714 3.69391 numMergedOcc 0
47 mol 48 unq 6 iso 1 dist 6.17378 7.86518 8.3714 5.46483 5.37439 3.69391 numMergedOcc 0
48 mol 48 unq 7 iso 0 dist 6.17378 5.46483 5.37439 9.92075 6.36817 8.61401 numMergedOcc 0
49 mol 48 unq 7 iso 1 dist 6.17378 9.92075 6.36817 5.46483 5.37439 8.61401 numMergedOcc 0
50 mol 48 unq 7 iso 0 dist 6.17378 7.86518 8.3714 9.92075 6.36817 9.16142 numMergedOcc 0
51 mol 48 unq 7 iso 1 dist 6.17378 9.92075 6.36817 7.86518 8.3714 9.16142 numMergedOcc 0
52 mol 48 unq 8 iso 0 dist 7.70645 5.43784 8.14245 9.7018 6.36817 6.29252 numMergedOcc 0
53 mol 48 unq 8 iso 1 dist 7.70645 9.7018 6.36817 5.43784 8.14245 6.29252 numMergedOcc 0
54 mol 48 unq 9 iso 0 dist 7.70645 5.43784 8.14245 8.95384 8.0812 10.8994 numMergedOcc 0
55 mol 48 unq 9 iso 1 dist 7.70645 8.95384 8.0812 5.43784 8.14245 10.8994 numMergedOcc 0
56 mol 48 unq 10 iso 0 dist 7.70645 5.43784 8.14245 4.57947 4.17933 4.73799 numMergedOcc 0
57 mol 48 unq 10 iso 1 dist 7.70645 4.57947 4.17933 5.43784 8.14245 4.73799 numMergedOcc 0
58 mol 48 unq 11 iso 0 dist 7.70645 5.43784 8.14245 4.60843 5.54893 7.19576 numMergedOcc 0
59 mol 48 unq 11 iso 1 dist 7.70645 4.60843 5.54893 5.43784 8.14245 7.19576 numMergedOcc 0
60 mol 48 unq 9 iso 0 dist 7.70645 9.7018 6.36817 8.95384 8.0812 9.94041 numMergedOcc 0
61 mol 48 unq 9 iso 1 dist 7.70645 8.95384 8.0812 9.7018 6.36817 9.94041 numMergedOcc 0
62 mol 48 unq 10 iso 0 dist 7.70645 9.7018 6.36817 4.57947 4.17933 5.553 numMergedOcc 0
63 mol 48 unq 10 iso 1 dist 7.70645 4.57947 4.17933 9.7018 6.36817 5.553 numMergedOcc 0
64 mol 48 unq 11 iso 0 dist 7.70645 9.7018 6.36817 4.60843 5.54893 8.14415 numMergedOcc 0
65 mol 48 unq 11 iso 1 dist 7.70645 4.60843 5.54893 9.7018 6.36817 8.14415 numMergedOcc 0
66 mol 48 unq 10 iso 0 dist 7.70645 8.95384 8.0812 4.57947 4.17933 6.96103 numMergedOcc 0
67 mol 48 unq 10 iso 1 dist 7.70645 4.57947 4.17933 8.95384 8.0812 6.96103 numMergedOcc 0
68 mol 48 unq 11 iso 0 dist 7.70645 8.95384 8.0812 4.60843 5.54893 4.54874 numMergedOcc 0
69 mol 48 unq 11 iso 1 dist 7.70645 4.60843 5.54893 8.95384 8.0812 4.54874 numMergedOcc 0
70 mol 48 unq 11 iso 0 dist 7.70645 4.57947 4.17933 4.60843 5.54893 3.18526 numMergedOcc 0
71 mol 48 unq 11 iso 1 dist 7.70645 4.60843 5.54893 4.57947 4.17933 3.18526 numMergedOcc 0
72 mol 63 unq 0 iso 0 dist 8.78414 4.73277 8.14512 10.1907 9.13228 13.0286 numMergedOcc 0
73 mol 63 unq 0 iso 1 dist 8.78414 10.1907 9.13228 4.73277 8.14512 13.0286 numMergedOcc 0
74 mol 76 unq 0 iso 0 dist 9.57759 9.50354 7.66068 12.0331 9.5043 6.98219 numMergedOcc 0
75 mol 76 unq 0 iso 1 dist 9.57759 12.0331 9.5043 9.50354 7.66068 6.98219 numMergedOcc 0
76 mol 76 unq 1 iso 0 dist 9.57759 9.50354 7.66068 9.2434 8.34132 8.74837 numMergedOcc 0
77 mol 76 unq 1 iso 1 dist 9.57759 9.2434 8.34132 9.50354 7.66068 8.74837 numMergedOcc 0
78 mol 76 unq 1 iso 0 dist 9.57759 12.0331 9.5043 9.2434 8.34132 4.82479 numMergedOcc 0
79 mol 76 unq 1 iso 1 dist 9.57759 9.2434 8.34132 12.0331 9.5043 4.82479 numMergedOcc 0
80 mol 78 unq 0 iso 0 dist 9.38837 4.83106 9.07629 4.315 8.61143 8.09729 numMergedOcc 0
81 mol 78 unq 0 iso 1 dist 9.38837 4.315 8.61143 4.83106 9.07629 8.09729 numMergedOcc 0
82 mol 78 unq 1 iso 0 dist 9.80913 9.40741 9.07629 9.00868 8.61143 8.09729 numMergedOcc 0
83 mol 78 unq 1 iso 1 dist 9.80913 9.00868 8.61143 9.40741 9.07629 8.09729 numMergedOcc 0
84 mol 83 unq 0 iso 0 dist 5.35861 3.62753 7.50925 3.65203 6.96722 6.91034 numMergedOcc 0
85 mol 83 unq 0 iso 1 dist 5.35861 3.65203 6.96722 3.62753 7.50925 6.91034 numMergedOcc 0
86 mol 85 unq 0 iso 0 dist 4.29937 3.65186 6.67137 12.2971 9.78707 15.509 numMergedOcc 0
87 mol 85 unq 0 iso 1 dist 4.29937 12.2971 9.78707 3.65186 6.67137 15.509 numMergedOcc 0
88 mol 85 unq 1 iso 0 dist 5.37869 11.7094 7.91193 10.0372 7.07839 3.24037 numMergedOcc 0
89 mol 85 unq 1 iso 1 dist 5.37869 10.0372 7.07839 11.7094 7.91193 3.24037 numMergedOcc 0
90 mol 85 unq 2 iso 0 dist 5.37869 11.7094 7.91193 3.65186 7.04244 11.3346 numMergedOcc 0
91 mol 85 unq 2 iso 1 dist 5.37869 3.65186 7.04244 11.7094 7.91193 11.3346 numMergedOcc 0
92 mol 85 unq 3 iso 0 dist 5.37869 11.7094 7.91193 11.8779 9.09711 5.44737 numMergedOcc 0
93 mol 85 unq 3 iso 1 dist 5.37869 11.8779 9.09711 11.7094 7.91193 5.44737 numMergedOcc 0
94 mol 85 unq 4 iso 0 dist 5.37869 11.7094 7.91193 12.2971 9.63449 14.2704 numMergedOcc 0
95 mol 85 unq 4 iso 1 dist 5.37869 12.2971 9.63449 11.7094 7.91193 14.2704 numMergedOcc 0
96 mol 85 unq 2 iso 0 dist 5.37869 10.0372 7.07839 3.65186 7.04244 10.1082 numMergedOcc 0
97 mol 85 unq 2 iso 1 dist 5.37869 3.65186 7.04244 10.0372 7.07839 10.1082 numMergedOcc 0
98 mol 85 unq 3 iso 0 dist 5.37869 10.0372 7.07839 11.8779 9.09711 7.6242 numMergedOcc 0
99 mol 85 unq 3 iso 1 dist 5.37869 11.8779 9.09711 10.0372 7.07839 7.6242 numMergedOcc 0
100 mol 85 unq 4 iso 0 dist 5.37869 10.0372 7.07839 12.2971 9.63449 12.8332 numMergedOcc 0
101 mol 85 unq 4 iso 1 dist 5.37869 12.2971 9.63449 10.0372 7.07839 12.8332 numMergedOcc 0
102 mol 85 unq 3 iso 0 dist 5.37869 3.65186 7.04244 11.8779 9.09711 10.1757 numMergedOcc 0
103 mol 85 unq 3 iso 1 dist 5.37869 11.8779 9.09711 3.65186 7.04244 10.1757 numMergedOcc 0
104 mol 85 unq 4 iso 0 dist 5.37869 3.65186 7.04244 12.2971 9.63449 15.509 numMergedOcc 0
105 mol 85 unq 4 iso 1 dist 5.37869 12.2971 9.63449 3.65186 7.04244 15.509 numMergedOcc 0
106 mol 85 unq 4 iso 0 dist 5.37869 11.8779 9.09711 12.2971 9.63449 17.7038 numMergedOcc 0
107 mol 85 unq 4 iso 1 dist 5.37869 12.2971 9.63449 11.8779 9.09711 17.7038 numMergedOcc 0
108 mol 85 unq 5 iso 0 dist 3.65628 7.00044 6.67137 8.64367 9.78707 15.509 numMergedOcc 0
109 mol 85 unq 5 iso 1 dist 3.65628 8.64367 9.78707 7.00044 6.67137 15.509 numMergedOcc 0
110 mol 85 unq 6 iso 0 dist 4.05415 10.7591 7.91193 8.78995 7.07839 3.24037 numMergedOcc 0
111 mol 85 unq 6 iso 1 dist 4.05415 8.78995 7.07839 10.7591 7.91193 3.24037 numMergedOcc 0
112 mol 85 unq 7 iso 0 dist 4.05415 10.7591 7.91193 7.00044 7.04244 11.3346 numMergedOcc 0
113 mol 85 unq 7 iso 1 dist 4.05415 7.00044 7.04244 10.7591 7.91193 11.3346 numMergedOcc 0
114 mol 85 unq 8 iso 0 dist 4.05415 10.7591 7.91193 12.4835 9.09711 5.44737 numMergedOcc 0
115 mol 85 unq 8 iso 1 dist 4.05415 12.4835 9.09711 10.7591 7.91193 5.44737 numMergedOcc 0
116 mol 85 unq 9 iso 0 dist 4.05415 10.7591 7.91193 8.64367 9.63449 14.2704 numMergedOcc 0
117 mol 85 unq 9 iso 1 dist 4.05415 8.64367 9.63449 10.7591 7.91193 14.2704 numMergedOcc 0
118 mol 85 unq 7 iso 0 dist 4.05415 8.78995 7.07839 7.00044 7.04244 10.1082 numMergedOcc 0
119 mol 85 unq 7 iso 1 dist 4.05415 7.00044 7.04244 8.78995 7.07839 10.1082 numMergedOcc 0
120 mol 85 unq 8 iso 0 dist 4.05415 8.78995 7.07839 12.4835 9.09711 7.6242 numMergedOcc 0
121 mol 85 unq 8 iso 1 dist 4.05415 12.4835 9.09711 8.78995 7.07839 7.6242 numMergedOcc 0
122 mol 85 unq 9 iso 0 dist 4.05415 8.78995 7.07839 8.64367 9.63449 12.8332 numMergedOcc 0
123 mol 85 unq 9 iso 1 dist 4.05415 8.64367 9.63449 8.78995 7.07839 12.8332 numMergedOcc 0
124 mol 85 unq 8 iso 0 dist 4.05415 7.00044 7.04244 12.4835 9.09711 10.1757 numMergedOcc 0
125 mol 85 unq 8 iso 1 dist 4.05415 12.4835 9.09711 7.00044 7.04244 10.1757 numMergedOcc 0
126 mol 85 unq 9 iso 0 dist 4.05415 7.00044 7.04244 8.64367 9.63449 15.509 numMergedOcc 0
127 mol 85 unq 9 iso 1 dist 4.05415 8.64367 9.63449 7.00044 7.04244 15.509 numMergedOcc 0
128 mol 85 unq 9 iso 0 dist 4.05415 12.4835 9.09711 8.64367 9.63449 17.7038 numMergedOcc 0
129 mol 85 unq 9 iso 1 dist 4.05415 8.64367 9.63449 12.4835 9.09711 17.7038 numMergedOcc 0
130 mol 85 unq 10 iso 0 dist 9.77774 16.1804 6.67137 3.21259 9.78707 15.509 numMergedOcc 0
131 mol 85 unq 10 iso 1 dist 9.77774 3.21259 9.78707 16.1804 6.67137 15.509 numMergedOcc 0
132 mol 85 unq 11 iso 0 dist 9.97944 15.1209 7.91193 14.2664 7.07839 3.24037 numMergedOcc 0
133 mol 85 unq 11 iso 1 dist 9.97944 14.2664 7.07839 15.1209 7.91193 3.24037 numMergedOcc 0
134 mol 85 unq 12 iso 0 dist 9.97944 15.1209 7.91193 16.1804 7.04244 11.3346 numMergedOcc 0
135 mol 85 unq 12 iso 1 dist 9.97944 16.1804 7.04244 15.1209 7.91193 11.3346 numMergedOcc 0
136 mol 85 unq 13 iso 0 dist 9.97944 15.1209 7.91193 17.9023 9.09711 5.44737 numMergedOcc 0
137 mol 85 unq 13 iso 1 dist 9.97944 17.9023 9.09711 15.1209 7.91193 5.44737 numMergedOcc 0
138 mol 85 unq 14 iso 0 dist 9.97944 15.1209 7.91193 3.21259 9.63449 14.2704 numMergedOcc 0
139 mol 85 unq 14 iso 1 dist 9.97944 3.21259 9.63449 15.1209 7.91193 14.2704 numMergedOcc 0
140 mol 85 unq 12 iso 0 dist 9.97944 14.2664 7.07839 16.1804 7.04244 10.1082 numMergedOcc 0
141 mol 85 unq 12 iso 1 dist 9.97944 16.1804 7.04244 14.2664 7.07839 10.1082 numMergedOcc 0
142 mol 85 unq 13 iso 0 dist 9.97944 14.2664 7.07839 17.9023 9.09711 7.6242 numMergedOcc 0
143 mol 85 unq 13 iso 1 dist 9.97944 17.9023 9.09711 14.2664 7.07839 7.6242 numMergedOcc 0
144 mol 85 unq 14 iso 0 dist 9.97944 14.2664 7.07839 3.21259 9.63449 12.8332 numMergedOcc 0
145 mol 85 unq 14 iso 1 dist 9.97944 3.21259 9.63449 14.2664 7.07839 12.8332 numMergedOcc 0
146 mol 85 unq 13 iso 0 dist 9.97944 16.1804 7.04244 17.9023 9.09711 10.1757 numMergedOcc 0
147 mol 85 unq 13 iso 1 dist 9.97944 17.9023 9.09711 16.1804 7.04244 10.1757 numMergedOcc 0
148 mol 85 unq 14 iso 0 dist 9.97944 16.1804 7.04244 3.21259 9.63449 15.509 numMergedOcc 0
149 mol 85 unq 14 iso 1 dist 9.97944 3.21259 9.63449 16.1804 7.04244 15.509 numMergedOcc 0
150 mol 85 unq 14 iso 0 dist 9.97944 17.9023 9.09711 3.21259 9.63449 17.7038 numMergedOcc 0
151 mol 85 unq 14 iso 1 dist 9.97944 3.21259 9.63449 17.9023 9.09711 17.7038 numMergedOcc 0
152 mol 107 unq 0 iso 0 dist 5.31375 9.65216 8.88124 8.32169 8.19484 13.5807 numMergedOcc 0
153 mol 107 unq 0 iso 1 dist 5.31375 8.32169 8.19484 9.65216 8.88124 13.5807 numMergedOcc 0
154 mol 107 unq 1 iso 0 dist 6.49371 10.4294 8.88124 3.40943 8.19484 13.5807 numMergedOcc 0
155 mol 107 unq 1 iso 1 dist 6.49371 3.40943 8.19484 10.4294 8.88124 13.5807 numMergedOcc 0
156 mol 113 unq 0 iso 0 dist 8.67025 9.59189 5.31126 10.1118 4.49669 5.7147 numMergedOcc 0
157 mol 113 unq 0 iso 1 dist 8.67025 10.1118 4.49669 9.59189 5.31126 5.7147 numMergedOcc 0
158 mol 113 unq 1 iso 0 dist 8.67025 9.59189 5.31126 8.19901 6.00221 8.09465 numMergedOcc 0
159 mol 113 unq 1 iso 1 dist 8.67025 8.19901 6.00221 9.59189 5.31126 8.09465 numMergedOcc 0
160 mol 113 unq 1 iso 0 dist 8.67025 10.1118 4.49669 8.19901 6.00221 3.74304 numMergedOcc 0
161 mol 113 unq 1 iso 1 dist 8.67025 8.19901 6.00221 10.1118 4.49669 3.74304 numMergedOcc 0
162 mol 113 unq 2 iso 0 dist 9.60127 13.8379 7.16619 8.39067 5.88896 5.7147 numMergedOcc 0
163 mol 113 unq 2 iso 1 dist 9.60127 8.39067 5.88896 13.8379 7.16619 5.7147 numMergedOcc 0
164 mol 115 unq 0 iso 0 dist 9.45013 7.30495 6.21029 9.57858 8.16325 3.66281 numMergedOcc 0
165 mol 115 unq 0 iso 1 dist 9.45013 9.57858 8.16325 7.30495 6.21029 3.66281 numMergedOcc 0
166 mol 120 unq 0 iso 0 dist 9.98772 3.28697 9.31385 4.5296 6.98791 5.7181 numMergedOcc 0
167 mol 120 unq 0 iso 1 dist 9.98772 4.5296 6.98791 3.28697 9.31385 5.7181 numMergedOcc 0
168 mol 123 unq 0 iso 0 dist 4.14492 8.42496 5.56127 10.3919 8.03692 10.2185 numMergedOcc 0
169 mol 123 unq 0 iso 1 dist 4.14492 10.3919 8.03692 8.42496 5.56127 10.2185 numMergedOcc 0
170 mol 123 unq 1 iso 0 dist 4.14492 8.42496 5.56127 3.3389 5.36214 8.29136 numMergedOcc 0
171 mol 123 unq 1 iso 1 dist 4.14492 3.3389 5.36214 8.42496 5.56127 8.29136 numMergedOcc 0
172 mol 123 unq 1 iso 0 dist 4.14492 10.3919 8.03692 3.3389 5.36214 13.0033 numMergedOcc 0
173 mol 123 unq 1 iso 1 dist 4.14492 3.3389 5.36214 10.3919 8.03692 13.0033 numMergedOcc 0
174 mol 147 unq 0 iso 0 dist 7.7464 5.19008 3.82583 5.27556 5.19116 3.00464 numMergedOcc 0
175 mol 147 unq 0 iso 1 dist 7.7464 5.27556 5.19116 5.19008 3.82583 3.00464 numMergedOcc 0
176 mol 147 unq 1 iso 0 dist 5.12272 3.7729 3.82583 6.34165 5.19116 3.00464 numMergedOcc 0
177 mol 147 unq 1 iso 1 dist 5.12272 6.34165 5.19116 3.7729 3.82583 3.00464 numMergedOcc 0
178 mol 147 unq 2 iso 0 dist 8.7121 3.7729 8.25768 6.34165 8.71702 3.00464 numMergedOcc 0
179 mol 147 unq 2 iso 1 dist 8.7121 6.34165 8.71702 3.7729 8.25768 3.00464 numMergedOcc 0
180 mol 168 unq 0 iso 0 dist 7.0961 6.06538 5.86767 10.919 5.28353 6.37254 numMergedOcc 0
181 mol 168 unq 0 iso 1 dist 7.0961 10.919 5.28353 6.06538 5.86767 6.37254 numMergedOcc 0
182 mol 168 unq 1 iso 0 dist 8.21227 9.99868 5.86767 6.91388 5.28353 6.37254 numMergedOcc 0
183 mol 168 unq 1 iso 1 dist 8.21227 6.91388 5.28353 9.99868 5.86767 6.37254 numMergedOcc 0
184 mol 168 unq 2 iso 0 dist 6.53038 10.7133 5.86767 6.65321 5.28353 6.37254 numMergedOcc 0
185 mol 168 unq 2 iso 1 dist 6.53038 6.65321 5.28353 10.7133 5.86767 6.37254 numMergedOcc 0
186 mol 169 unq 0 iso 0 dist 8.6961 9.60496 5.10589 10.5251 4.63336 5.23644 numMergedOcc 0
187 mol 169 unq 0 iso 1 dist 8.6961 10.5251 4.63336 9.60496 5.10589 5.23644 numMergedOcc 0
188 mol 169 unq 1 iso 0 dist 8.6961 9.60496 5.10589 8.67112 6.10715 7.52063 numMergedOcc 0
189 mol 169 unq 1 iso 1 dist 8.6961 8.67112 6.10715 9.60496 5.10589 7.52063 numMergedOcc 0
190 mol 169 unq 1 iso 0 dist 8.6961 10.5251 4.63336 8.67112 6.10715 3.74306 numMergedOcc 0
191 mol 169 unq 1 iso 1 dist 8.6961 8.67112 6.10715 10.5251 4.63336 3.74306 numMergedOcc 0
192 mol 186 unq 0 iso 0 dist 8.17928 4.79079 4.87942 3.60793 7.25595 6.13455 numMergedOcc 0
193 mol 186 unq 0 iso 1 dist 8.17928 3.60793 7.25595 4.79079 4.87942 6.13455 numMergedOcc 0
194 mol 186 unq 1 iso 0 dist 8.92135 14.4913 7.25595 5.43612 9.94825 12.8007 numMergedOcc 0
195 mol 186 unq 1 iso 1 dist 8.92135 5.43612 9.94825 14.4913 7.25595 12.8007 numMergedOcc 0
196 mol 194 unq 0 iso 0 dist 5.89939 9.23342 4.68722 10.3782 5.18325 5.61057 numMergedOcc 0
197 mol 194 unq 0 iso 1 dist 5.89939 10.3782 5.18325 9.23342 4.68722 5.61057 numMergedOcc 0
198 mol 194 unq 1 iso 0 dist 8.18853 11.7699 4.68722 13.0759 5.18325 5.61057 numMergedOcc 0
199 mol 194 unq 1 iso 1 dist 8.18853 13.0759 5.18325 11.7699 4.68722 5.61057 numMergedOcc 0
200 mol 204 unq 0 iso 0 dist 7.33774 4.7839 8.32259 4.05102 9.93489 2.95898 numMergedOcc 0
201 mol 204 unq 0 iso 1 dist 7.33774 4.05102 9.93489 4.7839 8.32259 2.95898 numMergedOcc 0
202 mol 204 unq 1 iso 0 dist 6.39122 4.7839 8.54737 4.05102 7.64057 2.95898 numMergedOcc 0
203 mol 204 unq 1 iso 1 dist 6.39122 4.05102 7.64057 4.7839 8.54737 2.95898 numMergedOcc 0
204 mol 204 unq 2 iso 0 dist 8.23717 5.80328 8.32259 3.68217 8.54737 8.59834 numMergedOcc 0
205 mol 204 unq 2 iso 1 dist 8.23717 3.68217 8.54737 5.80328 8.32259 8.59834 numMergedOcc 0
206 mol 204 unq 3 iso 0 dist 7.98864 5.80328 9.93489 3.68217 7.64057 8.59834 numMergedOcc 0
207 mol 204 unq 3 iso 1 dist 7.98864 3.68217 7.64057 5.80328 9.93489 8.59834 numMergedOcc 0
208 mol 214 unq 0 iso 0 dist 6.50654 4.84709 7.96338 4.16963 7.42759 2.86233 numMergedOcc 0
209 mol 214 unq 0 iso 1 dist 6.50654 4.16963 7.42759 4.84709 7.96338 2.86233 numMergedOcc 0
210 mol 214 unq 1 iso 0 dist 9.59928 3.14057 8.66082 8.88633 7.96338 10.5332 numMergedOcc 0
211 mol 214 unq 1 iso 1 dist 9.59928 8.88633 7.96338 3.14057 8.66082 10.5332 numMergedOcc 0
212 mol 214 unq 2 iso 0 dist 7.70062 7.87816 8.66082 3.64285 7.96338 10.5332 numMergedOcc 0
213 mol 214 unq 2 iso 1 dist 7.70062 3.64285 7.96338 7.87816 8.66082 10.5332 numMergedOcc 0
214 mol 254 unq 0 iso 0 dist 5.6417 8.8967 7.85841 10.929 9.20109 3.15539 numMergedOcc 0
215 mol 254 unq 0 iso 1 dist 5.6417 10.929 9.20109 8.8967 7.85841 3.15539 numMergedOcc 0
216 mol 254 unq 1 iso 0 dist 7.42831 9.42679 7.85841 10.706 9.20109 3.15539 numMergedOcc 0
217 mol 254 unq 1 iso 1 dist 7.42831 10.706 9.20109 9.42679 7.85841 3.15539 numMergedOcc 0
218 mol 260 unq 0 iso 0 dist 8.51564 8.22506 7.04263 3.68866 6.48099 8.76827 numMergedOcc 0
219 mol 260 unq 0 iso 1 dist 8.51564 3.68866 6.48099 8.22506 7.04263 8.76827 numMergedOcc 0
220 mol 266 unq 0 iso 0 dist 7.72861 3.14784 7.8598 5.95721 7.80711 3.00605 numMergedOcc 0
221 mol 266 unq 0 iso 1 dist 7.72861 5.95721 7.80711 3.14784 7.8598 3.00605 numMergedOcc 0
222 mol 266 unq 1 iso 0 dist 8.20376 3.68488 6.96692 3.14784 8.25286 5.76129 numMergedOcc 0
223 mol 266 unq 1 iso 1 dist 8.20376 3.14784 8.25286 3.68488 6.96692 5.76129 numMergedOcc 0
224 mol 266 unq 2 iso 0 dist 8.20376 3.68488 6.96692 5.95721 9.9965 8.75066 numMergedOcc 0
225 mol 266 unq 2 iso 1 dist 8.20376 5.95721 9.9965 3.68488 6.96692 8.75066 numMergedOcc 0
226 mol 266 unq 2 iso 0 dist 8.20376 3.14784 8.25286 5.95721 9.9965 3.00605 numMergedOcc 0
227 mol 266 unq 2 iso 1 dist 8.20376 5.95721 9.9965 3.14784 8.25286 3.00605 numMergedOcc 0
228 mol 285 unq 0 iso 0 dist 7.73438 10.5542 5.88958 12.5361 7.78121 4.87372 numMergedOcc 0
229 mol 285 unq 0 iso 1 dist 7.73438 12.5361 7.78121 10.5542 5.88958 4.87372 numMergedOcc 0
