0 mol 11 unq 0 iso 0 dist 7.98326 7.90478 8.05578 8.00765 7.46578 7.16561 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 7.98326 7.46578 8.00765 8.05578 7.90478 7.16561 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.46578 7.16561 8.05578 8.00765 7.98326 7.90478 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 7.46578 7.98326 8.00765 8.05578 7.16561 7.90478 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 7.90478 7.98326 8.05578 8.00765 7.16561 7.46578 numMergedOcc 0
5 mol 11 unq 2 iso 1 dist 7.90478 7.16561 8.00765 8.05578 7.98326 7.46578 numMergedOcc 0
6 mol 11 unq 3 iso 0 dist 7.16561 7.46578 8.05578 8.00765 7.90478 7.98326 numMergedOcc 0
7 mol 11 unq 3 iso 1 dist 7.16561 7.90478 8.00765 8.05578 7.46578 7.98326 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 4.74809 7.43882 9.9801 6.05053 5.86181 6.3253 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 4.74809 5.86181 6.05053 9.9801 7.43882 6.3253 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 4.74809 7.31198 5.64041 6.05053 5.86181 5.80568 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 4.74809 5.86181 6.05053 5.64041 7.31198 5.80568 numMergedOcc 0
12 mol 20 unq 2 iso 0 dist 5.86181 6.3253 9.9801 6.05053 4.74809 7.43882 numMergedOcc 0
13 mol 20 unq 2 iso 1 dist 5.86181 4.74809 6.05053 9.9801 6.3253 7.43882 numMergedOcc 0
14 mol 20 unq 3 iso 0 dist 5.86181 5.80568 5.64041 6.05053 4.74809 7.31198 numMergedOcc 0
15 mol 20 unq 3 iso 1 dist 5.86181 4.74809 6.05053 5.64041 5.80568 7.31198 numMergedOcc 0
16 mol 20 unq 4 iso 0 dist 7.43882 4.74809 9.9801 6.05053 6.3253 5.86181 numMergedOcc 0
17 mol 20 unq 4 iso 1 dist 7.43882 6.3253 6.05053 9.9801 4.74809 5.86181 numMergedOcc 0
18 mol 20 unq 5 iso 0 dist 7.43882 7.31198 7.57412 6.05053 6.3253 5.80568 numMergedOcc 0
19 mol 20 unq 5 iso 1 dist 7.43882 6.3253 6.05053 7.57412 7.31198 5.80568 numMergedOcc 0
20 mol 20 unq 6 iso 0 dist 6.3253 5.86181 9.9801 6.05053 7.43882 4.74809 numMergedOcc 0
21 mol 20 unq 6 iso 1 dist 6.3253 7.43882 6.05053 9.9801 5.86181 4.74809 numMergedOcc 0
22 mol 20 unq 7 iso 0 dist 6.3253 5.80568 7.57412 6.05053 7.43882 7.31198 numMergedOcc 0
23 mol 20 unq 7 iso 1 dist 6.3253 7.43882 6.05053 7.57412 5.80568 7.31198 numMergedOcc 0
24 mol 20 unq 8 iso 0 dist 7.31198 4.74809 5.64041 6.05053 5.80568 5.86181 numMergedOcc 0
25 mol 20 unq 8 iso 1 dist 7.31198 5.80568 6.05053 5.64041 4.74809 5.86181 numMergedOcc 0
26 mol 20 unq 9 iso 0 dist 7.31198 7.43882 7.57412 6.05053 5.80568 6.3253 numMergedOcc 0
27 mol 20 unq 9 iso 1 dist 7.31198 5.80568 6.05053 7.57412 7.43882 6.3253 numMergedOcc 0
28 mol 20 unq 10 iso 0 dist 5.80568 5.86181 5.64041 6.05053 7.31198 4.74809 numMergedOcc 0
29 mol 20 unq 10 iso 1 dist 5.80568 7.31198 6.05053 5.64041 5.86181 4.74809 numMergedOcc 0
30 mol 20 unq 11 iso 0 dist 5.80568 6.3253 7.57412 6.05053 7.31198 7.43882 numMergedOcc 0
31 mol 20 unq 11 iso 1 dist 5.80568 7.31198 6.05053 7.57412 6.3253 7.43882 numMergedOcc 0
32 mol 79 unq 0 iso 0 dist 8.03296 9.26979 7.21092 6.70789 5.82754 9.05679 numMergedOcc 0
33 mol 79 unq 0 iso 1 dist 8.03296 5.82754 6.70789 7.21092 9.26979 9.05679 numMergedOcc 0
34 mol 79 unq 1 iso 0 dist 8.03296 9.26979 7.21092 7.7277 8.87742 4.93468 numMergedOcc 0
35 mol 79 unq 1 iso 1 dist 8.03296 8.87742 7.7277 7.21092 9.26979 4.93468 numMergedOcc 0
36 mol 79 unq 2 iso 0 dist 5.82754 9.05679 7.21092 6.70789 8.03296 9.26979 numMergedOcc 0
37 mol 79 unq 2 iso 1 dist 5.82754 8.03296 6.70789 7.21092 9.05679 9.26979 numMergedOcc 0
38 mol 79 unq 3 iso 0 dist 5.82754 9.05679 7.21092 7.2005 8.87742 4.93468 numMergedOcc 0
39 mol 79 unq 3 iso 1 dist 5.82754 8.87742 7.2005 7.21092 9.05679 4.93468 numMergedOcc 0
40 mol 79 unq 4 iso 0 dist 8.87742 9.78384 14.8479 7.7277 8.03296 16.7587 numMergedOcc 0
41 mol 79 unq 4 iso 1 dist 8.87742 8.03296 7.7277 14.8479 9.78384 16.7587 numMergedOcc 0
42 mol 79 unq 5 iso 0 dist 8.87742 9.78384 14.8479 7.2005 5.82754 15.6918 numMergedOcc 0
43 mol 79 unq 5 iso 1 dist 8.87742 5.82754 7.2005 14.8479 9.78384 15.6918 numMergedOcc 0
44 mol 79 unq 6 iso 0 dist 8.87742 4.93468 7.21092 7.7277 8.03296 9.26979 numMergedOcc 0
45 mol 79 unq 6 iso 1 dist 8.87742 8.03296 7.7277 7.21092 4.93468 9.26979 numMergedOcc 0
46 mol 79 unq 7 iso 0 dist 8.87742 4.93468 7.21092 7.2005 5.82754 9.05679 numMergedOcc 0
47 mol 79 unq 7 iso 1 dist 8.87742 5.82754 7.2005 7.21092 4.93468 9.05679 numMergedOcc 0
48 mol 79 unq 8 iso 0 dist 9.26979 8.03296 7.21092 6.70789 9.05679 5.82754 numMergedOcc 0
49 mol 79 unq 8 iso 1 dist 9.26979 9.05679 6.70789 7.21092 8.03296 5.82754 numMergedOcc 0
50 mol 79 unq 9 iso 0 dist 9.26979 8.03296 7.21092 7.7277 4.93468 8.87742 numMergedOcc 0
51 mol 79 unq 9 iso 1 dist 9.26979 4.93468 7.7277 7.21092 8.03296 8.87742 numMergedOcc 0
52 mol 79 unq 10 iso 0 dist 9.05679 5.82754 7.21092 6.70789 9.26979 8.03296 numMergedOcc 0
53 mol 79 unq 10 iso 1 dist 9.05679 9.26979 6.70789 7.21092 5.82754 8.03296 numMergedOcc 0
54 mol 79 unq 11 iso 0 dist 9.05679 5.82754 7.21092 7.2005 4.93468 8.87742 numMergedOcc 0
55 mol 79 unq 11 iso 1 dist 9.05679 4.93468 7.2005 7.21092 5.82754 8.87742 numMergedOcc 0
56 mol 79 unq 12 iso 0 dist 4.93468 9.78384 8.25967 7.7277 9.26979 16.7587 numMergedOcc 0
57 mol 79 unq 12 iso 1 dist 4.93468 9.26979 7.7277 8.25967 9.78384 16.7587 numMergedOcc 0
58 mol 79 unq 13 iso 0 dist 4.93468 9.78384 8.25967 7.2005 9.05679 15.6918 numMergedOcc 0
59 mol 79 unq 13 iso 1 dist 4.93468 9.05679 7.2005 8.25967 9.78384 15.6918 numMergedOcc 0
60 mol 79 unq 14 iso 0 dist 4.93468 8.87742 7.21092 7.7277 9.26979 8.03296 numMergedOcc 0
61 mol 79 unq 14 iso 1 dist 4.93468 9.26979 7.7277 7.21092 8.87742 8.03296 numMergedOcc 0
62 mol 79 unq 15 iso 0 dist 4.93468 8.87742 7.21092 7.2005 9.05679 5.82754 numMergedOcc 0
63 mol 79 unq 15 iso 1 dist 4.93468 9.05679 7.2005 7.21092 8.87742 5.82754 numMergedOcc 0
64 mol 93 unq 0 iso 0 dist 8.89417 8.74378 4.37353 9.11219 9.95255 11.3682 numMergedOcc 0
65 mol 93 unq 0 iso 1 dist 8.89417 9.95255 9.11219 4.37353 8.74378 11.3682 numMergedOcc 0
66 mol 141 unq 0 iso 0 dist 9.10042 9.83945 12.8394 4.72386 9.75059 13.9532 numMergedOcc 0
67 mol 141 unq 0 iso 1 dist 9.10042 9.75059 4.72386 12.8394 9.83945 13.9532 numMergedOcc 0
68 mol 141 unq 1 iso 0 dist 9.10042 9.83945 12.8394 13.0212 6.83404 18.1026 numMergedOcc 0
69 mol 141 unq 1 iso 1 dist 9.10042 6.83404 13.0212 12.8394 9.83945 18.1026 numMergedOcc 0
70 mol 141 unq 2 iso 0 dist 9.10042 6.75376 6.59975 4.72386 9.75059 10.215 numMergedOcc 0
71 mol 141 unq 2 iso 1 dist 9.10042 9.75059 4.72386 6.59975 6.75376 10.215 numMergedOcc 0
72 mol 141 unq 3 iso 0 dist 9.10042 6.75376 6.59975 13.0212 6.83404 12.514 numMergedOcc 0
73 mol 141 unq 3 iso 1 dist 9.10042 6.83404 13.0212 6.59975 6.75376 12.514 numMergedOcc 0
74 mol 156 unq 0 iso 0 dist 8.21184 5.9976 6.12113 4.40883 5.41575 6.86566 numMergedOcc 0
75 mol 156 unq 0 iso 1 dist 8.21184 5.41575 4.40883 6.12113 5.9976 6.86566 numMergedOcc 0
76 mol 156 unq 1 iso 0 dist 5.41575 6.86566 6.12113 4.40883 8.21184 5.9976 numMergedOcc 0
77 mol 156 unq 1 iso 1 dist 5.41575 8.21184 4.40883 6.12113 6.86566 5.9976 numMergedOcc 0
78 mol 156 unq 2 iso 0 dist 5.9976 8.21184 6.12113 4.40883 6.86566 5.41575 numMergedOcc 0
79 mol 156 unq 2 iso 1 dist 5.9976 6.86566 4.40883 6.12113 8.21184 5.41575 numMergedOcc 0
80 mol 156 unq 3 iso 0 dist 6.86566 5.41575 6.12113 4.40883 5.9976 8.21184 numMergedOcc 0
81 mol 156 unq 3 iso 1 dist 6.86566 5.9976 4.40883 6.12113 5.41575 8.21184 numMergedOcc 0
82 mol 171 unq 0 iso 0 dist 7.22518 7.58499 3.98338 7.9115 5.25109 8.21618 numMergedOcc 0
83 mol 171 unq 0 iso 1 dist 7.22518 5.25109 7.9115 3.98338 7.58499 8.21618 numMergedOcc 0
84 mol 171 unq 1 iso 0 dist 5.25109 8.21618 3.98338 7.9115 7.22518 7.58499 numMergedOcc 0
85 mol 171 unq 1 iso 1 dist 5.25109 7.22518 7.9115 3.98338 8.21618 7.58499 numMergedOcc 0
86 mol 171 unq 2 iso 0 dist 7.58499 7.22518 3.98338 7.9115 8.21618 5.25109 numMergedOcc 0
87 mol 171 unq 2 iso 1 dist 7.58499 8.21618 7.9115 3.98338 7.22518 5.25109 numMergedOcc 0
88 mol 171 unq 3 iso 0 dist 8.21618 5.25109 3.98338 7.9115 7.58499 7.22518 numMergedOcc 0
89 mol 171 unq 3 iso 1 dist 8.21618 7.58499 7.9115 3.98338 5.25109 7.22518 numMergedOcc 0
90 mol 181 unq 0 iso 0 dist 8.86197 7.32087 9.87773 11.5564 5.94379 13.134 numMergedOcc 0
91 mol 181 unq 0 iso 1 dist 8.86197 5.94379 11.5564 9.87773 7.32087 13.134 numMergedOcc 0
92 mol 192 unq 0 iso 0 dist 6.60053 9.36796 4.20321 9.52218 8.26288 10.5991 numMergedOcc 0
93 mol 192 unq 0 iso 1 dist 6.60053 8.26288 9.52218 4.20321 9.36796 10.5991 numMergedOcc 0
94 mol 256 unq 0 iso 0 dist 4.98734 6.33496 6.48174 4.56465 6.37963 6.00636 numMergedOcc 0
95 mol 256 unq 0 iso 1 dist 4.98734 6.37963 4.56465 6.48174 6.33496 6.00636 numMergedOcc 0
96 mol 256 unq 1 iso 0 dist 4.98734 6.33496 6.48174 8.02729 8.16803 10.9323 numMergedOcc 0
97 mol 256 unq 1 iso 1 dist 4.98734 8.16803 8.02729 6.48174 6.33496 10.9323 numMergedOcc 0
98 mol 256 unq 2 iso 0 dist 6.37963 6.00636 6.48174 4.56465 4.98734 6.33496 numMergedOcc 0
99 mol 256 unq 2 iso 1 dist 6.37963 4.98734 4.56465 6.48174 6.00636 6.33496 numMergedOcc 0
100 mol 256 unq 3 iso 0 dist 6.37963 6.00636 6.48174 12.3316 8.16803 10.9323 numMergedOcc 0
101 mol 256 unq 3 iso 1 dist 6.37963 8.16803 12.3316 6.48174 6.00636 10.9323 numMergedOcc 0
102 mol 256 unq 4 iso 0 dist 6.33496 4.98734 6.48174 4.56465 6.00636 6.37963 numMergedOcc 0
103 mol 256 unq 4 iso 1 dist 6.33496 6.00636 4.56465 6.48174 4.98734 6.37963 numMergedOcc 0
104 mol 256 unq 5 iso 0 dist 6.33496 4.98734 6.48174 9.60398 7.81448 11.9984 numMergedOcc 0
105 mol 256 unq 5 iso 1 dist 6.33496 7.81448 9.60398 6.48174 4.98734 11.9984 numMergedOcc 0
106 mol 256 unq 6 iso 0 dist 6.33496 4.98734 6.48174 7.37964 8.54499 10.0745 numMergedOcc 0
107 mol 256 unq 6 iso 1 dist 6.33496 8.54499 7.37964 6.48174 4.98734 10.0745 numMergedOcc 0
108 mol 256 unq 7 iso 0 dist 6.00636 6.37963 6.48174 4.56465 6.33496 4.98734 numMergedOcc 0
109 mol 256 unq 7 iso 1 dist 6.00636 6.33496 4.56465 6.48174 6.37963 4.98734 numMergedOcc 0
110 mol 256 unq 8 iso 0 dist 6.00636 6.37963 6.48174 11.7084 7.81448 11.9984 numMergedOcc 0
111 mol 256 unq 8 iso 1 dist 6.00636 7.81448 11.7084 6.48174 6.37963 11.9984 numMergedOcc 0
112 mol 256 unq 9 iso 0 dist 6.00636 6.37963 6.48174 10.9861 8.54499 10.0745 numMergedOcc 0
113 mol 256 unq 9 iso 1 dist 6.00636 8.54499 10.9861 6.48174 6.37963 10.0745 numMergedOcc 0
