0 mol 10 unq 0 iso 0 dist 6.50154 5.96121 6.77807 4.27432 8.7908 8.56896 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 4.79838 9.58844 9.89425 3.56133 6.83186 12.0683 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.34723 4.60536 5.99655 5.64409 9.2087 8.80559 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.56614 10.4688 6.52283 9.78639 4.75881 3.41186 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.16443 8.78858 7.78689 5.59994 8.22812 9.26377 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.16443 8.78858 7.78689 7.78417 4.22002 4.88527 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.16443 8.78858 7.78689 5.47187 5.77855 4.76279 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.16443 8.78858 7.78689 12.2824 8.10774 5.56357 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.16443 8.78858 7.78689 12.3016 6.5241 9.94951 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 4.53565 8.48136 7.7927 7.08546 5.37439 4.10953 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 4.53565 8.48136 7.7927 8.61607 8.3714 5.70353 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 4.53565 8.48136 7.7927 4.12075 6.36817 11.246 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 4.53565 6.27695 6.17378 7.08546 5.37439 5.46483 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 4.53565 6.27695 6.17378 8.61607 8.3714 7.86518 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 4.53565 6.27695 6.17378 4.12075 6.36817 9.92075 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 7.08628 8.51227 7.70645 12.2601 8.14245 5.43784 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 7.08628 8.51227 7.70645 12.2529 6.36817 9.7018 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 7.08628 8.51227 7.70645 5.98272 8.0812 8.95384 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 7.08628 8.51227 7.70645 7.83821 4.17933 4.57947 numMergedOcc 0
19 mol 48 unq 15 iso 0 dist 7.08628 8.51227 7.70645 5.51708 5.54893 4.60843 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 8.90522 5.19248 9.57759 10.865 7.66068 9.50354 numMergedOcc 0
21 mol 76 unq 1 iso 0 dist 8.90522 5.19248 9.57759 10.2651 9.5043 12.0331 numMergedOcc 0
22 mol 76 unq 2 iso 0 dist 8.90522 5.19248 9.57759 5.92868 8.34132 9.2434 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 7.90338 6.25647 7.92114 4.35906 4.15789 4.69555 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 7.90338 5.72646 8.18375 4.35906 4.15789 6.49084 numMergedOcc 0
25 mol 79 unq 2 iso 0 dist 5.82384 6.19285 4.74254 4.39784 6.20144 7.19532 numMergedOcc 0
26 mol 79 unq 3 iso 0 dist 7.15907 4.47084 4.74254 5.01567 6.20144 7.19532 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 5.61151 7.2898 4.29937 10.803 6.67137 3.65186 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 5.61151 7.2898 4.29937 5.49707 9.78707 12.2971 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 5.61151 4.13305 3.65628 10.803 6.67137 7.00044 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 5.61151 4.13305 3.65628 5.49707 9.78707 8.64367 numMergedOcc 0
31 mol 85 unq 4 iso 0 dist 5.61151 6.42723 9.77774 10.803 6.67137 16.1804 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 5.61151 6.42723 9.77774 5.49707 9.78707 3.21259 numMergedOcc 0
33 mol 85 unq 6 iso 0 dist 6.54289 7.2898 5.37869 11.6623 7.07839 10.0372 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 6.54289 7.2898 5.37869 10.803 7.04244 3.65186 numMergedOcc 0
35 mol 85 unq 8 iso 0 dist 6.54289 7.2898 5.37869 13.4097 7.91193 11.7094 numMergedOcc 0
36 mol 85 unq 9 iso 0 dist 6.54289 7.2898 5.37869 15.6048 9.09711 11.8779 numMergedOcc 0
37 mol 85 unq 10 iso 0 dist 6.54289 7.2898 5.37869 5.49707 9.63449 12.2971 numMergedOcc 0
38 mol 85 unq 11 iso 0 dist 6.54289 4.13305 4.05415 11.6623 7.07839 8.78995 numMergedOcc 0
39 mol 85 unq 12 iso 0 dist 6.54289 4.13305 4.05415 10.803 7.04244 7.00044 numMergedOcc 0
40 mol 85 unq 13 iso 0 dist 6.54289 4.13305 4.05415 13.4097 7.91193 10.7591 numMergedOcc 0
41 mol 85 unq 14 iso 0 dist 6.54289 4.13305 4.05415 15.6048 9.09711 12.4835 numMergedOcc 0
42 mol 85 unq 15 iso 0 dist 6.54289 4.13305 4.05415 5.49707 9.63449 8.64367 numMergedOcc 0
43 mol 85 unq 16 iso 0 dist 6.54289 6.42723 9.97944 11.6623 7.07839 14.2664 numMergedOcc 0
44 mol 85 unq 17 iso 0 dist 6.54289 6.42723 9.97944 10.803 7.04244 16.1804 numMergedOcc 0
45 mol 85 unq 18 iso 0 dist 6.54289 6.42723 9.97944 15.6048 9.09711 17.9023 numMergedOcc 0
46 mol 85 unq 19 iso 0 dist 6.54289 6.42723 9.97944 13.4097 7.91193 15.1209 numMergedOcc 0
47 mol 85 unq 20 iso 0 dist 6.54289 6.42723 9.97944 5.49707 9.63449 3.21259 numMergedOcc 0
48 mol 85 unq 21 iso 0 dist 7.52869 8.37735 5.37869 4.86391 7.07839 10.0372 numMergedOcc 0
49 mol 85 unq 22 iso 0 dist 7.52869 8.37735 5.37869 9.46256 7.04244 3.65186 numMergedOcc 0
50 mol 85 unq 23 iso 0 dist 7.52869 8.37735 5.37869 8.06224 7.91193 11.7094 numMergedOcc 0
51 mol 85 unq 24 iso 0 dist 7.52869 8.37735 5.37869 11.3191 9.63449 12.2971 numMergedOcc 0
52 mol 85 unq 25 iso 0 dist 7.52869 8.37735 5.37869 11.6463 9.09711 11.8779 numMergedOcc 0
53 mol 85 unq 26 iso 0 dist 7.52869 6.66973 4.05415 4.86391 7.07839 8.78995 numMergedOcc 0
54 mol 85 unq 27 iso 0 dist 7.52869 6.66973 4.05415 9.46256 7.04244 7.00044 numMergedOcc 0
55 mol 85 unq 28 iso 0 dist 7.52869 6.66973 4.05415 8.06224 7.91193 10.7591 numMergedOcc 0
56 mol 85 unq 29 iso 0 dist 7.52869 6.66973 4.05415 11.3191 9.63449 8.64367 numMergedOcc 0
57 mol 85 unq 30 iso 0 dist 7.52869 6.66973 4.05415 11.6463 9.09711 12.4835 numMergedOcc 0
58 mol 85 unq 31 iso 0 dist 7.52869 13.5088 9.97944 4.86391 7.07839 14.2664 numMergedOcc 0
59 mol 85 unq 32 iso 0 dist 7.52869 13.5088 9.97944 9.46256 7.04244 16.1804 numMergedOcc 0
60 mol 85 unq 33 iso 0 dist 7.52869 13.5088 9.97944 8.06224 7.91193 15.1209 numMergedOcc 0
61 mol 85 unq 34 iso 0 dist 7.52869 13.5088 9.97944 11.3191 9.63449 3.21259 numMergedOcc 0
62 mol 85 unq 35 iso 0 dist 7.52869 13.5088 9.97944 11.6463 9.09711 17.9023 numMergedOcc 0
63 mol 85 unq 36 iso 0 dist 9.18945 6.17924 5.37869 9.18879 7.07839 10.0372 numMergedOcc 0
64 mol 85 unq 37 iso 0 dist 9.18945 6.17924 5.37869 6.34431 7.04244 3.65186 numMergedOcc 0
65 mol 85 unq 38 iso 0 dist 9.18945 6.17924 5.37869 11.8663 7.91193 11.7094 numMergedOcc 0
66 mol 85 unq 39 iso 0 dist 9.18945 6.17924 5.37869 14.7195 9.63449 12.2971 numMergedOcc 0
67 mol 85 unq 40 iso 0 dist 9.18945 6.17924 5.37869 13.1591 9.09711 11.8779 numMergedOcc 0
68 mol 85 unq 41 iso 0 dist 9.18945 7.15173 4.05415 9.18879 7.07839 8.78995 numMergedOcc 0
69 mol 85 unq 42 iso 0 dist 9.18945 7.15173 4.05415 6.34431 7.04244 7.00044 numMergedOcc 0
70 mol 85 unq 43 iso 0 dist 9.18945 7.15173 4.05415 11.8663 7.91193 10.7591 numMergedOcc 0
71 mol 85 unq 44 iso 0 dist 9.18945 7.15173 4.05415 14.7195 9.63449 8.64367 numMergedOcc 0
72 mol 85 unq 45 iso 0 dist 9.18945 7.15173 4.05415 13.1591 9.09711 12.4835 numMergedOcc 0
73 mol 85 unq 46 iso 0 dist 9.18945 16.574 9.97944 9.18879 7.07839 14.2664 numMergedOcc 0
74 mol 85 unq 47 iso 0 dist 9.18945 16.574 9.97944 6.34431 7.04244 16.1804 numMergedOcc 0
75 mol 85 unq 48 iso 0 dist 9.18945 16.574 9.97944 11.8663 7.91193 15.1209 numMergedOcc 0
76 mol 85 unq 49 iso 0 dist 9.18945 16.574 9.97944 14.7195 9.63449 3.21259 numMergedOcc 0
77 mol 85 unq 50 iso 0 dist 9.18945 16.574 9.97944 13.1591 9.09711 17.9023 numMergedOcc 0
78 mol 101 unq 0 iso 0 dist 8.35515 9.00107 9.33112 11.7377 8.19144 7.5541 numMergedOcc 0
79 mol 123 unq 0 iso 0 dist 8.53618 9.7027 4.14492 4.43225 5.56127 8.42496 numMergedOcc 0
80 mol 123 unq 1 iso 0 dist 8.53618 9.7027 4.14492 14.0485 8.03692 10.3919 numMergedOcc 0
81 mol 123 unq 2 iso 0 dist 8.53618 9.7027 4.14492 8.58632 5.36214 3.3389 numMergedOcc 0
82 mol 204 unq 0 iso 0 dist 4.51124 4.08137 7.33774 6.68247 8.32259 4.7839 numMergedOcc 0
83 mol 204 unq 1 iso 0 dist 4.51124 4.08137 7.33774 7.51762 9.93489 4.05102 numMergedOcc 0
84 mol 204 unq 2 iso 0 dist 8.41517 4.08137 6.39122 6.68247 8.54737 4.7839 numMergedOcc 0
85 mol 204 unq 3 iso 0 dist 8.41517 4.08137 6.39122 7.51762 7.64057 4.05102 numMergedOcc 0
86 mol 204 unq 4 iso 0 dist 7.76863 9.11693 8.23717 3.99343 8.32259 5.80328 numMergedOcc 0
87 mol 204 unq 5 iso 0 dist 7.76863 9.11693 8.23717 11.4601 8.54737 3.68217 numMergedOcc 0
88 mol 213 unq 0 iso 0 dist 6.8984 4.31175 9.02881 14.229 9.71831 14.4808 numMergedOcc 0
89 mol 213 unq 1 iso 0 dist 7.77553 4.89372 9.02881 14.9475 9.71831 14.4808 numMergedOcc 0
90 mol 214 unq 0 iso 0 dist 8.3107 6.2381 9.59928 3.92649 8.66082 3.14057 numMergedOcc 0
91 mol 214 unq 1 iso 0 dist 8.3107 6.2381 9.59928 11.4548 7.96338 8.88633 numMergedOcc 0
92 mol 214 unq 2 iso 0 dist 8.3107 9.8806 7.70062 3.92649 8.66082 7.87816 numMergedOcc 0
93 mol 214 unq 3 iso 0 dist 8.3107 9.8806 7.70062 11.4548 7.96338 3.64285 numMergedOcc 0
94 mol 214 unq 4 iso 0 dist 7.72298 7.451 6.50654 6.05252 7.96338 4.84709 numMergedOcc 0
95 mol 214 unq 5 iso 0 dist 7.72298 7.451 6.50654 4.00138 7.42759 4.16963 numMergedOcc 0
96 mol 254 unq 0 iso 0 dist 6.59989 5.91806 5.6417 4.84855 7.85841 8.8967 numMergedOcc 0
97 mol 254 unq 1 iso 0 dist 6.59989 5.91806 5.6417 5.67608 9.20109 10.929 numMergedOcc 0
98 mol 254 unq 2 iso 0 dist 6.59989 5.04088 7.42831 4.84855 7.85841 9.42679 numMergedOcc 0
99 mol 254 unq 3 iso 0 dist 6.59989 5.04088 7.42831 5.67608 9.20109 10.706 numMergedOcc 0
100 mol 260 unq 0 iso 0 dist 8.8385 12.2431 9.73217 11.4575 8.62655 15.6308 numMergedOcc 0
101 mol 260 unq 1 iso 0 dist 8.8385 12.1038 7.49606 11.4575 8.62655 7.35802 numMergedOcc 0
102 mol 260 unq 2 iso 0 dist 8.8385 9.42988 8.06377 11.4575 8.62655 10.4054 numMergedOcc 0
103 mol 266 unq 0 iso 0 dist 9.6721 17.5987 8.20376 16.2268 6.96692 3.68488 numMergedOcc 0
104 mol 266 unq 1 iso 0 dist 9.6721 17.5987 8.20376 16.7453 8.25286 3.14784 numMergedOcc 0
105 mol 266 unq 2 iso 0 dist 9.6721 17.5987 8.20376 17.4207 9.9965 5.95721 numMergedOcc 0
106 mol 285 unq 0 iso 0 dist 6.01404 4.3249 4.27826 6.01515 5.88958 3.14843 numMergedOcc 0
107 mol 287 unq 0 iso 0 dist 7.1388 6.79087 8.32982 7.45064 6.24487 5.55422 numMergedOcc 0
108 mol 288 unq 0 iso 0 dist 7.1388 6.79087 8.32982 7.45064 6.24487 5.55422 numMergedOcc 0
109 mol 289 unq 0 iso 0 dist 7.1388 6.79087 8.32982 7.45064 6.24487 5.55422 numMergedOcc 0
