0 mol 79 unq 0 iso 0 dist 6.29267 9.64361 9.02602 6.02092 4.15789 12.5014 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 7.14242 6.67137 7.04244 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 6.56288 5.97559 2.58673 15.2173 9.78707 9.63449 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 5.97559 6.56288 2.58673 9.52671 7.07839 9.52926 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 5.97559 6.56288 2.58673 8.62855 7.91193 10.4386 numMergedOcc 0
5 mol 85 unq 4 iso 0 dist 5.97559 6.56288 2.58673 5.86553 9.09711 10.9264 numMergedOcc 0
6 mol 85 unq 5 iso 0 dist 5.97559 6.56288 2.58673 7.14242 7.04244 6.67137 numMergedOcc 0
7 mol 85 unq 6 iso 0 dist 5.97559 6.56288 2.58673 15.2173 9.63449 9.78707 numMergedOcc 0
8 mol 85 unq 7 iso 0 dist 8.15861 9.27814 16.3912 3.81285 6.67137 12.9252 numMergedOcc 0
9 mol 85 unq 8 iso 0 dist 8.15861 9.27814 16.3912 6.17121 7.04244 15.2807 numMergedOcc 0
10 mol 85 unq 9 iso 0 dist 9.27814 8.15861 16.3912 11.9486 4.18248 18.6507 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.23294 8.2702 9.47916 3.27874 5.20429 8.71366 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.2702 8.23294 9.47916 3.27874 8.71366 5.20429 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.33923 9.9801 6.13173 3.83194 4.91212 9.74162 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 6.33923 9.9801 6.13173 5.56913 9.34782 12.5922 numMergedOcc 0
15 mol 111 unq 2 iso 0 dist 9.9801 6.33923 6.13173 3.83194 9.74162 4.91212 numMergedOcc 0
16 mol 111 unq 3 iso 0 dist 8.51084 5.53271 8.72808 7.42165 4.91212 9.34782 numMergedOcc 0
17 mol 111 unq 4 iso 0 dist 8.51084 5.53271 8.72808 7.93667 9.74162 12.5922 numMergedOcc 0
18 mol 111 unq 5 iso 0 dist 5.53271 8.51084 8.72808 7.42165 9.34782 4.91212 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 9.44 8.47634 2.75715 12.8761 5.31126 7.16619 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 9.44 8.47634 2.75715 7.68828 4.49669 5.88896 numMergedOcc 0
21 mol 113 unq 2 iso 0 dist 9.44 8.47634 2.75715 8.44413 6.00221 7.84239 numMergedOcc 0
22 mol 113 unq 3 iso 0 dist 8.47634 9.44 2.75715 12.8761 7.16619 5.31126 numMergedOcc 0
23 mol 113 unq 4 iso 0 dist 8.47634 9.44 2.75715 7.68828 5.88896 4.49669 numMergedOcc 0
24 mol 116 unq 0 iso 0 dist 8.55413 7.65919 9.76537 9.53399 6.55227 13.0017 numMergedOcc 0
25 mol 120 unq 0 iso 0 dist 5.39792 8.44206 5.26524 5.56137 7.84207 6.98791 numMergedOcc 0
26 mol 120 unq 1 iso 0 dist 5.39792 8.44206 5.26524 6.80121 8.56947 11.3644 numMergedOcc 0
27 mol 120 unq 2 iso 0 dist 8.44206 5.39792 5.26524 10.0743 9.31385 11.8836 numMergedOcc 0
28 mol 120 unq 3 iso 0 dist 8.44206 5.39792 5.26524 5.56137 6.98791 7.84207 numMergedOcc 0
29 mol 120 unq 4 iso 0 dist 7.00542 9.78884 5.26524 7.75617 7.84207 6.98791 numMergedOcc 0
30 mol 120 unq 5 iso 0 dist 7.00542 9.78884 5.26524 10.6431 8.56947 11.3644 numMergedOcc 0
31 mol 120 unq 6 iso 0 dist 9.78884 7.00542 5.26524 10.2233 9.31385 11.8836 numMergedOcc 0
32 mol 120 unq 7 iso 0 dist 9.78884 7.00542 5.26524 7.75617 6.98791 7.84207 numMergedOcc 0
33 mol 123 unq 0 iso 0 dist 8.09682 8.35926 10.2185 3.61945 5.56127 8.03692 numMergedOcc 0
34 mol 123 unq 1 iso 0 dist 8.09682 7.41568 8.29136 3.61945 5.56127 5.36214 numMergedOcc 0
35 mol 123 unq 2 iso 0 dist 8.35926 8.09682 10.2185 5.85997 8.78115 13.5017 numMergedOcc 0
36 mol 123 unq 3 iso 0 dist 8.35926 8.09682 10.2185 3.61945 8.03692 5.56127 numMergedOcc 0
37 mol 123 unq 4 iso 0 dist 8.35926 7.41568 13.0033 5.85997 8.78115 12.1434 numMergedOcc 0
38 mol 123 unq 5 iso 0 dist 8.35926 7.41568 13.0033 3.61945 8.03692 5.36214 numMergedOcc 0
39 mol 123 unq 6 iso 0 dist 7.41568 8.09682 8.29136 3.61945 5.36214 5.56127 numMergedOcc 0
40 mol 123 unq 7 iso 0 dist 7.41568 8.35926 13.0033 3.61945 5.36214 8.03692 numMergedOcc 0
41 mol 147 unq 0 iso 0 dist 5.39386 5.79819 3.00464 3.75216 3.82583 5.19116 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 5.39386 5.79819 3.00464 6.64419 8.25768 8.71702 numMergedOcc 0
43 mol 147 unq 2 iso 0 dist 5.39386 6.03024 7.05599 3.75216 3.82583 8.45156 numMergedOcc 0
44 mol 147 unq 3 iso 0 dist 5.39386 6.03024 7.05599 6.64419 8.25768 11.7923 numMergedOcc 0
45 mol 147 unq 4 iso 0 dist 5.79819 5.39386 3.00464 3.75216 5.19116 3.82583 numMergedOcc 0
46 mol 147 unq 5 iso 0 dist 5.79819 5.39386 3.00464 6.64419 8.71702 8.25768 numMergedOcc 0
47 mol 147 unq 6 iso 0 dist 5.79819 6.03024 5.61172 3.75216 5.19116 8.45156 numMergedOcc 0
48 mol 147 unq 7 iso 0 dist 5.79819 6.03024 5.61172 6.64419 8.71702 11.7923 numMergedOcc 0
49 mol 176 unq 0 iso 0 dist 8.00223 9.60695 4.75543 3.84631 6.85902 10.081 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 4.02402 5.10542 4.68722 numMergedOcc 0
51 mol 194 unq 1 iso 0 dist 4.42095 4.55528 3.78714 3.83542 5.18325 7.52366 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 4.42095 4.55528 3.78714 4.02402 4.68722 5.10542 numMergedOcc 0
53 mol 194 unq 3 iso 0 dist 6.88386 4.63898 3.78714 8.31549 5.10542 4.68722 numMergedOcc 0
54 mol 194 unq 4 iso 0 dist 4.63898 6.88386 3.78714 8.31549 4.68722 5.10542 numMergedOcc 0
55 mol 194 unq 5 iso 0 dist 4.63898 6.88386 3.78714 4.98625 5.18325 7.52366 numMergedOcc 0
56 mol 204 unq 0 iso 0 dist 7.15344 9.60981 8.15958 6.82158 8.32259 13.4407 numMergedOcc 0
57 mol 204 unq 1 iso 0 dist 7.15344 9.60981 8.15958 11.8793 8.54737 16.6387 numMergedOcc 0
58 mol 204 unq 2 iso 0 dist 7.15344 9.98617 2.95898 6.82158 8.32259 9.93489 numMergedOcc 0
59 mol 204 unq 3 iso 0 dist 7.15344 9.98617 2.95898 11.8793 8.54737 7.64057 numMergedOcc 0
60 mol 204 unq 4 iso 0 dist 9.98617 9.60981 10.064 6.82158 9.93489 13.4407 numMergedOcc 0
61 mol 204 unq 5 iso 0 dist 9.98617 9.60981 10.064 11.8793 7.64057 16.6387 numMergedOcc 0
62 mol 204 unq 6 iso 0 dist 9.98617 7.15344 2.95898 6.82158 9.93489 8.32259 numMergedOcc 0
63 mol 204 unq 7 iso 0 dist 9.98617 7.15344 2.95898 11.8793 7.64057 8.54737 numMergedOcc 0
64 mol 225 unq 0 iso 0 dist 5.65735 8.52735 8.44761 6.46348 9.54529 12.4707 numMergedOcc 0
65 mol 287 unq 0 iso 0 dist 8.15636 7.86292 6.88819 11.4888 6.24487 12.9958 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 8.15636 7.86292 6.88819 11.4888 6.24487 12.9958 numMergedOcc 0
67 mol 289 unq 0 iso 0 dist 8.15636 7.86292 6.88819 11.4888 6.24487 12.9958 numMergedOcc 0
