0 mol 1 unq 0 iso 0 dist 9.44115 6.44928 8.56884 12.6791 9.01967 9.00903 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 6.35409 8.56884 12.2079 9.01967 9.00903 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 12.8762 11.4878 8.57077 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 13.0231 11.4878 8.57077 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 8.72187 5.90976 8.38064 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 8.72187 5.90976 9.97507 numMergedOcc 0
6 mol 15 unq 2 iso 0 dist 6.61158 12.2588 7.12903 11.4555 5.51916 6.82505 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 6.36377 6.2983 5.05803 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 9.05346 5.48395 5.47769 6.36377 6.2983 6.31718 numMergedOcc 0
9 mol 16 unq 2 iso 0 dist 9.05346 5.48395 5.47769 12.9591 5.94084 7.63133 numMergedOcc 0
10 mol 16 unq 3 iso 0 dist 9.05346 10.1011 6.58035 12.9591 5.94084 5.46498 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.62693 4.09495 9.16962 10.8071 11.887 8.34347 numMergedOcc 0
12 mol 26 unq 1 iso 0 dist 9.97117 5.3315 6.73162 6.88695 7.23546 8.34347 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 10.7681 5.3525 7.71095 numMergedOcc 0
14 mol 59 unq 1 iso 0 dist 8.68726 10.8906 8.24062 17.118 11.0387 8.84665 numMergedOcc 0
15 mol 59 unq 2 iso 0 dist 8.68726 10.8906 8.24062 16.5558 9.15805 8.25513 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 5.82918 4.0486 9.2603 7.74197 6.95868 9.36773 numMergedOcc 0
17 mol 88 unq 1 iso 0 dist 5.82918 4.0486 9.2603 7.86537 6.97239 8.31336 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 11.0291 6.99832 7.4729 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 7.57958 13.6329 9.70512 11.0291 6.99832 6.82344 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.5192 10.2377 9.33865 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 5.58063 5.24961 7.64585 10.8398 10.8939 6.11741 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 18.7881 11.3679 9.84395 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 9.58171 10.4485 6.62561 6.90827 4.91401 7.90328 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 9.58171 5.27151 7.63616 6.90827 4.91401 7.83136 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.95838 5.85391 9.63176 13.3689 10.6679 8.73993 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.95838 11.0075 7.44174 13.2232 7.36192 9.87172 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.47892 18.2257 9.63176 19.5006 10.6679 8.73993 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 9.47892 9.93013 7.44174 15.3808 7.36192 9.87172 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 9.90096 4.29914 8.6243 6.31125 6.19596 7.12972 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 numMergedOcc 0
31 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 6.7973 4.9093 6.23493 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 9.16944 5.01118 9.17284 10.6879 6.3437 7.46303 numMergedOcc 0
33 mol 155 unq 2 iso 0 dist 7.50392 4.94973 9.38946 11.1867 12.8482 6.43582 numMergedOcc 0
34 mol 155 unq 3 iso 0 dist 8.02593 9.80448 7.36102 12.6683 8.27726 6.43582 numMergedOcc 0
35 mol 155 unq 4 iso 0 dist 8.77391 4.94973 7.36102 11.1867 8.27726 6.43582 numMergedOcc 0
36 mol 155 unq 5 iso 0 dist 7.62575 14.7279 9.86313 13.0657 5.86939 6.23493 numMergedOcc 0
37 mol 155 unq 6 iso 0 dist 7.62575 10.4606 7.51198 13.0657 5.86939 7.46303 numMergedOcc 0
38 mol 155 unq 7 iso 0 dist 7.62575 10.4606 7.51198 10.6076 6.34186 6.43582 numMergedOcc 0
39 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 5.59806 6.58937 9.87651 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 8.45395 9.47799 6.94688 14.039 6.80228 9.15386 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 numMergedOcc 0
44 mol 181 unq 4 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 numMergedOcc 0
45 mol 181 unq 5 iso 0 dist 9.15368 9.09989 6.94688 12.9138 6.80228 9.15386 numMergedOcc 0
46 mol 181 unq 6 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 numMergedOcc 0
47 mol 181 unq 7 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 numMergedOcc 0
48 mol 181 unq 8 iso 0 dist 9.20477 4.98009 6.94688 11.7479 6.80228 9.15386 numMergedOcc 0
49 mol 181 unq 9 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 numMergedOcc 0
50 mol 181 unq 10 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 numMergedOcc 0
51 mol 181 unq 11 iso 0 dist 5.41368 9.47799 6.71012 14.039 11.6919 9.15386 numMergedOcc 0
52 mol 181 unq 12 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 numMergedOcc 0
53 mol 181 unq 13 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 numMergedOcc 0
54 mol 181 unq 14 iso 0 dist 7.96182 9.09989 6.71012 12.9138 11.6919 9.15386 numMergedOcc 0
55 mol 181 unq 15 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 numMergedOcc 0
56 mol 181 unq 16 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 numMergedOcc 0
57 mol 181 unq 17 iso 0 dist 7.90237 4.98009 6.71012 11.7479 11.6919 9.15386 numMergedOcc 0
58 mol 181 unq 18 iso 0 dist 9.70025 6.20895 7.37327 13.8362 11.1462 7.81386 numMergedOcc 0
59 mol 181 unq 19 iso 0 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 numMergedOcc 0
60 mol 181 unq 20 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 numMergedOcc 0
61 mol 181 unq 21 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 numMergedOcc 0
62 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 numMergedOcc 0
63 mol 197 unq 1 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 numMergedOcc 0
64 mol 197 unq 2 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 numMergedOcc 0
65 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 10.8522 4.8892 8.01589 numMergedOcc 0
66 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 10.0664 11.0074 7.7699 numMergedOcc 0
67 mol 222 unq 2 iso 0 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 numMergedOcc 0
68 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 numMergedOcc 0
69 mol 235 unq 0 iso 0 dist 8.19915 6.84447 8.21247 9.11256 4.65302 5.4638 numMergedOcc 0
70 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 numMergedOcc 0
71 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 numMergedOcc 0
73 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 numMergedOcc 0
74 mol 236 unq 4 iso 0 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 numMergedOcc 0
75 mol 236 unq 5 iso 0 dist 6.98151 4.15973 5.34718 12.3675 11.8759 9.81562 numMergedOcc 0
76 mol 236 unq 6 iso 0 dist 6.98151 4.15973 5.34718 11.0771 11.3552 7.68742 numMergedOcc 0
77 mol 236 unq 7 iso 0 dist 6.98151 4.15973 5.34718 5.66569 6.04825 6.27581 numMergedOcc 0
78 mol 238 unq 0 iso 0 dist 9.88122 11.9794 6.91569 17.949 10.9761 6.57393 numMergedOcc 0
79 mol 238 unq 1 iso 0 dist 9.94175 13.8985 5.38637 10.6346 6.20606 6.57393 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 numMergedOcc 0
81 mol 238 unq 3 iso 0 dist 8.81534 5.33567 5.38637 6.24928 6.20606 6.57393 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 numMergedOcc 0
83 mol 238 unq 5 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 numMergedOcc 0
84 mol 238 unq 6 iso 0 dist 9.77231 9.18011 9.29858 8.59074 13.069 5.72887 numMergedOcc 0
85 mol 259 unq 0 iso 0 dist 8.46351 5.59901 7.76676 9.12507 5.32839 5.30224 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 numMergedOcc 0
87 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 12.2873 11.8736 7.84554 numMergedOcc 0
88 mol 259 unq 3 iso 0 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 numMergedOcc 0
89 mol 259 unq 4 iso 0 dist 9.53092 4.77548 7.48005 12.3184 12.6649 9.18903 numMergedOcc 0
90 mol 259 unq 5 iso 0 dist 9.53092 12.7699 8.37865 12.9189 5.31048 5.30224 numMergedOcc 0
91 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 15.3175 9.74238 9.361 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 8.44015 11.2529 9.0012 10.7818 5.12409 6.24356 numMergedOcc 0
93 mol 264 unq 2 iso 0 dist 6.21206 11.2529 9.5784 15.3175 9.85579 9.361 numMergedOcc 0
94 mol 264 unq 3 iso 0 dist 6.21206 11.2529 9.5784 10.7818 9.67998 6.24356 numMergedOcc 0
95 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 15.5242 6.3384 8.04483 numMergedOcc 0
96 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 15.5242 6.3384 6.33524 numMergedOcc 0
97 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 11.3408 6.3384 8.04483 numMergedOcc 0
98 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 11.3408 6.3384 6.33524 numMergedOcc 0
