0 mol 5 unq 0 iso 0 dist 6.66949 7.24092 7.50453 4.05341 5.69239 3.33561 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 4.79206 7.7447 11.1055 8.25818 11.1587 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 14.9575 9.2146 10.8301 8.53424 16.4255 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 14.9575 9.2146 10.0008 7.08766 16.0765 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 14.9575 9.2146 7.55139 4.82199 13.6412 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 6.35997 9.9219 6.52283 6.66835 4.75881 3.41186 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 5.81662 8.70524 5.4713 3.8412 3.77542 6.08836 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 5.81662 8.70524 5.4713 6.17831 9.97314 14.1986 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 7.49792 8.03921 8.93807 3.70802 4.46067 5.98227 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.58981 5.81231 8.93807 3.66673 4.46067 5.98227 numMergedOcc 0
10 mol 62 unq 2 iso 0 dist 6.51901 5.90259 7.16844 4.29679 4.46067 3.73834 numMergedOcc 0
11 mol 62 unq 3 iso 0 dist 9.1926 6.38075 7.16844 8.07308 4.46067 3.73834 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.63792 9.51274 9.57759 8.58059 7.66068 9.50354 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 8.63792 9.51274 9.57759 14.7497 9.5043 12.0331 numMergedOcc 0
14 mol 76 unq 2 iso 0 dist 8.63792 9.51274 9.57759 14.3572 8.34132 9.2434 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 8.39335 13.8821 9.38837 11.779 9.07629 4.83106 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 8.39335 13.8821 9.38837 13.0405 8.61143 4.315 numMergedOcc 0
17 mol 78 unq 2 iso 0 dist 8.39335 6.6691 9.80913 11.779 9.07629 9.40741 numMergedOcc 0
18 mol 78 unq 3 iso 0 dist 8.39335 6.6691 9.80913 13.0405 8.61143 9.00868 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 6.29267 5.22146 7.92114 6.02092 4.15789 4.69555 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 6.29267 9.79892 8.18375 6.02092 4.15789 6.49084 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 6.56288 8.175 4.29937 7.14242 6.67137 3.65186 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 6.56288 8.175 4.29937 15.2173 9.78707 12.2971 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 6.56288 9.3414 3.65628 7.14242 6.67137 7.00044 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 6.56288 9.3414 3.65628 15.2173 9.78707 8.64367 numMergedOcc 0
25 mol 85 unq 4 iso 0 dist 6.56288 14.8394 9.77774 7.14242 6.67137 16.1804 numMergedOcc 0
26 mol 85 unq 5 iso 0 dist 6.56288 14.8394 9.77774 15.2173 9.78707 3.21259 numMergedOcc 0
27 mol 85 unq 6 iso 0 dist 5.97559 8.175 5.37869 9.52671 7.07839 10.0372 numMergedOcc 0
28 mol 85 unq 7 iso 0 dist 5.97559 8.175 5.37869 5.86553 9.09711 11.8779 numMergedOcc 0
29 mol 85 unq 8 iso 0 dist 5.97559 8.175 5.37869 7.14242 7.04244 3.65186 numMergedOcc 0
30 mol 85 unq 9 iso 0 dist 5.97559 8.175 5.37869 8.62855 7.91193 11.7094 numMergedOcc 0
31 mol 85 unq 10 iso 0 dist 5.97559 8.175 5.37869 15.2173 9.63449 12.2971 numMergedOcc 0
32 mol 85 unq 11 iso 0 dist 5.97559 9.3414 4.05415 9.52671 7.07839 8.78995 numMergedOcc 0
33 mol 85 unq 12 iso 0 dist 5.97559 9.3414 4.05415 5.86553 9.09711 12.4835 numMergedOcc 0
34 mol 85 unq 13 iso 0 dist 5.97559 9.3414 4.05415 7.14242 7.04244 7.00044 numMergedOcc 0
35 mol 85 unq 14 iso 0 dist 5.97559 9.3414 4.05415 8.62855 7.91193 10.7591 numMergedOcc 0
36 mol 85 unq 15 iso 0 dist 5.97559 9.3414 4.05415 15.2173 9.63449 8.64367 numMergedOcc 0
37 mol 85 unq 16 iso 0 dist 5.97559 14.8394 9.97944 9.52671 7.07839 14.2664 numMergedOcc 0
38 mol 85 unq 17 iso 0 dist 5.97559 14.8394 9.97944 5.86553 9.09711 17.9023 numMergedOcc 0
39 mol 85 unq 18 iso 0 dist 5.97559 14.8394 9.97944 7.14242 7.04244 16.1804 numMergedOcc 0
40 mol 85 unq 19 iso 0 dist 5.97559 14.8394 9.97944 8.62855 7.91193 15.1209 numMergedOcc 0
41 mol 85 unq 20 iso 0 dist 5.97559 14.8394 9.97944 15.2173 9.63449 3.21259 numMergedOcc 0
42 mol 90 unq 0 iso 0 dist 6.77993 5.41241 7.62463 3.79142 5.24346 5.4118 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 9.44 15.8274 8.67025 12.8761 5.31126 9.59189 numMergedOcc 0
44 mol 113 unq 1 iso 0 dist 9.44 15.8274 8.67025 7.68828 4.49669 10.1118 numMergedOcc 0
45 mol 113 unq 2 iso 0 dist 9.44 15.8274 8.67025 8.44413 6.00221 8.19901 numMergedOcc 0
46 mol 113 unq 3 iso 0 dist 8.47634 3.66763 9.60127 12.8761 7.16619 13.8379 numMergedOcc 0
47 mol 113 unq 4 iso 0 dist 8.47634 3.66763 9.60127 7.68828 5.88896 8.39067 numMergedOcc 0
48 mol 116 unq 0 iso 0 dist 6.98134 8.3164 9.87354 4.26914 6.55227 6.51576 numMergedOcc 0
49 mol 116 unq 1 iso 0 dist 8.55413 14.4915 9.87354 9.53399 6.55227 6.51576 numMergedOcc 0
50 mol 120 unq 0 iso 0 dist 8.44206 9.64212 9.98772 10.0743 9.31385 3.28697 numMergedOcc 0
51 mol 120 unq 1 iso 0 dist 8.44206 9.64212 9.98772 5.56137 6.98791 4.5296 numMergedOcc 0
52 mol 120 unq 2 iso 0 dist 9.78884 10.8696 9.98772 10.2233 9.31385 3.28697 numMergedOcc 0
53 mol 120 unq 3 iso 0 dist 9.78884 10.8696 9.98772 7.75617 6.98791 4.5296 numMergedOcc 0
54 mol 194 unq 0 iso 0 dist 4.55528 8.22995 4.45769 4.02402 5.10542 9.23342 numMergedOcc 0
55 mol 194 unq 1 iso 0 dist 4.55528 12.3429 8.99961 4.02402 5.10542 11.7699 numMergedOcc 0
56 mol 194 unq 2 iso 0 dist 4.42095 8.22995 5.89939 3.83542 5.18325 10.3782 numMergedOcc 0
57 mol 194 unq 3 iso 0 dist 4.42095 8.22995 5.89939 4.02402 4.68722 9.23342 numMergedOcc 0
58 mol 194 unq 4 iso 0 dist 4.42095 12.3429 8.18853 3.83542 5.18325 13.0759 numMergedOcc 0
59 mol 194 unq 5 iso 0 dist 4.42095 12.3429 8.18853 4.02402 4.68722 11.7699 numMergedOcc 0
60 mol 194 unq 6 iso 0 dist 6.88386 7.39897 4.45769 8.31549 5.10542 9.23342 numMergedOcc 0
61 mol 194 unq 7 iso 0 dist 6.88386 10.3177 8.99961 8.31549 5.10542 11.7699 numMergedOcc 0
62 mol 194 unq 8 iso 0 dist 4.63898 7.39897 5.89939 8.31549 4.68722 9.23342 numMergedOcc 0
63 mol 194 unq 9 iso 0 dist 4.63898 7.39897 5.89939 4.98625 5.18325 10.3782 numMergedOcc 0
64 mol 194 unq 10 iso 0 dist 4.63898 10.3177 8.18853 8.31549 4.68722 11.7699 numMergedOcc 0
65 mol 194 unq 11 iso 0 dist 4.63898 10.3177 8.18853 4.98625 5.18325 13.0759 numMergedOcc 0
66 mol 194 unq 12 iso 0 dist 9.53641 15.1388 5.89939 7.40457 4.68722 9.23342 numMergedOcc 0
67 mol 194 unq 13 iso 0 dist 9.53641 15.1388 5.89939 8.48051 5.18325 10.3782 numMergedOcc 0
68 mol 194 unq 14 iso 0 dist 9.53641 14.9856 8.18853 7.40457 4.68722 11.7699 numMergedOcc 0
69 mol 194 unq 15 iso 0 dist 9.53641 14.9856 8.18853 8.48051 5.18325 13.0759 numMergedOcc 0
70 mol 204 unq 0 iso 0 dist 7.15344 10.7662 8.23717 6.82158 8.32259 5.80328 numMergedOcc 0
71 mol 204 unq 1 iso 0 dist 7.15344 10.7662 8.23717 11.8793 8.54737 3.68217 numMergedOcc 0
72 mol 204 unq 2 iso 0 dist 9.98617 10.7662 7.98864 6.82158 9.93489 5.80328 numMergedOcc 0
73 mol 204 unq 3 iso 0 dist 9.98617 10.7662 7.98864 11.8793 7.64057 3.68217 numMergedOcc 0
74 mol 204 unq 4 iso 0 dist 8.09863 7.17392 6.39122 6.29741 8.54737 4.7839 numMergedOcc 0
75 mol 204 unq 5 iso 0 dist 8.09863 7.17392 6.39122 3.88406 7.64057 4.05102 numMergedOcc 0
76 mol 260 unq 0 iso 0 dist 9.11501 5.75884 8.51564 9.99682 7.04263 8.22506 numMergedOcc 0
77 mol 260 unq 1 iso 0 dist 9.11501 5.75884 8.51564 7.52009 6.48099 3.68866 numMergedOcc 0
78 mol 266 unq 0 iso 0 dist 5.28746 11.5675 8.20376 9.23405 6.96692 3.68488 numMergedOcc 0
79 mol 266 unq 1 iso 0 dist 5.28746 11.5675 8.20376 11.313 8.25286 3.14784 numMergedOcc 0
80 mol 266 unq 2 iso 0 dist 5.28746 11.5675 8.20376 13.005 9.9965 5.95721 numMergedOcc 0
81 mol 287 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 numMergedOcc 0
82 mol 287 unq 1 iso 0 dist 8.15636 6.60353 6.22311 11.4888 6.24487 5.96434 numMergedOcc 0
83 mol 288 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 numMergedOcc 0
84 mol 288 unq 1 iso 0 dist 8.15636 6.60353 6.22311 11.4888 6.24487 5.96434 numMergedOcc 0
85 mol 289 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 numMergedOcc 0
86 mol 289 unq 1 iso 0 dist 8.15636 6.60353 6.22311 11.4888 6.24487 5.96434 numMergedOcc 0
