0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 5.27206 12.2079 9.00903 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.3793 7.25179 5.53103 13.7 12.8229 8.57077 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.2056 8.51213 4.25207 11.0081 11.0331 9.51761 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.2056 8.51213 4.25207 11.3758 11.4245 7.3094 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 4.76147 6.88695 8.34347 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 5.93227 6.88695 8.34347 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.49676 8.19077 5.79134 6.12182 5.73067 7.50293 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 8.14351 15.6909 5.73819 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 15.1595 20.7027 8.80331 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.60396 8.47617 12.7554 8.14351 15.6909 6.20293 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.60396 5.73331 9.56289 8.14351 15.6909 8.93915 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 4.90079 6.31203 4.8042 4.53359 7.75811 5.83409 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 7.77295 10.783 5.86073 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 10.3475 12.5189 9.33865 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 7.99121 5.22628 6.59772 10.0419 12.6493 9.33865 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.99121 5.22628 6.59772 6.8104 4.98864 6.11741 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 6.30982 5.22628 4.86477 10.0419 13.7044 9.33865 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 6.30982 5.22628 4.86477 6.8104 7.95871 6.11741 numMergedOcc 0
19 mol 115 unq 6 iso 0 dist 6.12404 5.22628 5.24961 10.0419 12.5192 9.33865 numMergedOcc 0
20 mol 115 unq 7 iso 0 dist 6.12404 5.22628 5.24961 6.8104 10.8398 6.11741 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 4.32516 9.3894 6.5107 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 5.59311 8.94909 14.4095 8.76089 12.969 7.11802 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 5.59311 8.94909 14.4095 6.80087 9.84918 8.00618 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 9.22456 8.94909 17.145 8.76089 16.8036 7.11802 numMergedOcc 0
25 mol 133 unq 4 iso 0 dist 9.22456 8.94909 17.145 6.80087 11.3707 8.00618 numMergedOcc 0
26 mol 133 unq 5 iso 0 dist 5.7232 8.94909 5.37072 8.76089 9.50322 7.11802 numMergedOcc 0
27 mol 133 unq 6 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.30966 9.37459 14.6591 8.41711 15.3038 5.87555 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 8.30966 9.37459 14.6591 4.82496 10.8892 8.87437 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 8.30966 9.0847 12.2051 14.8573 19.6013 8.56324 numMergedOcc 0
31 mol 152 unq 3 iso 0 dist 8.30966 9.0847 12.2051 8.41711 15.3038 6.70283 numMergedOcc 0
32 mol 152 unq 4 iso 0 dist 8.30966 9.0847 12.2051 4.82496 10.8892 7.16148 numMergedOcc 0
33 mol 152 unq 5 iso 0 dist 8.30966 6.00061 9.67332 8.41711 15.3038 8.67331 numMergedOcc 0
34 mol 152 unq 6 iso 0 dist 8.30966 6.00061 9.67332 4.82496 10.8892 8.05741 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 11.755 12.06 7.63312 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 14.1493 18.4423 9.1374 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 8.94464 7.15963 13.2985 6.73556 13.9813 5.98885 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 8.94464 7.15963 13.2985 5.49666 10.498 9.15386 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 8.63713 9.50454 8.88398 11.755 15.5519 7.63312 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 8.63713 7.15963 4.98009 14.1493 12.0593 9.1374 numMergedOcc 0
41 mol 181 unq 6 iso 0 dist 8.63713 7.15963 4.98009 6.73556 10.3248 5.98885 numMergedOcc 0
42 mol 181 unq 7 iso 0 dist 8.63713 7.15963 4.98009 5.49666 11.7479 9.15386 numMergedOcc 0
43 mol 181 unq 8 iso 0 dist 5.08796 6.43406 4.3158 10.9813 9.84952 7.81386 numMergedOcc 0
44 mol 181 unq 9 iso 0 dist 5.93515 6.43406 4.3226 10.9813 10.8641 7.81386 numMergedOcc 0
45 mol 196 unq 0 iso 0 dist 8.36119 8.69629 6.70722 4.76275 9.99314 9.62191 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 8.61953 9.14737 10.5326 9.23779 15.4893 8.56633 numMergedOcc 0
47 mol 197 unq 1 iso 0 dist 7.91999 9.14737 5.29309 9.23779 11.6279 8.56633 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 13.7629 12.3675 9.81562 numMergedOcc 0
49 mol 236 unq 1 iso 0 dist 4.43243 5.99137 4.15973 13.3575 11.0771 7.68742 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 4.43243 5.99137 4.15973 5.03598 5.66569 6.27581 numMergedOcc 0
51 mol 236 unq 3 iso 0 dist 5.92025 5.99137 9.01197 13.7629 14.8917 9.81562 numMergedOcc 0
52 mol 236 unq 4 iso 0 dist 5.92025 5.99137 9.01197 13.3575 15.2525 7.68742 numMergedOcc 0
53 mol 236 unq 5 iso 0 dist 5.92025 5.99137 9.01197 5.03598 6.11137 6.27581 numMergedOcc 0
54 mol 236 unq 6 iso 0 dist 9.04819 5.99137 14.6016 13.7629 22.3544 9.81562 numMergedOcc 0
55 mol 236 unq 7 iso 0 dist 9.04819 5.99137 14.6016 13.3575 22.146 7.68742 numMergedOcc 0
56 mol 236 unq 8 iso 0 dist 9.04819 5.99137 14.6016 5.03598 12.6124 6.27581 numMergedOcc 0
57 mol 239 unq 0 iso 0 dist 6.84088 6.92721 9.86326 9.00069 13.2218 6.16342 numMergedOcc 0
58 mol 241 unq 0 iso 0 dist 7.79013 8.18588 7.20238 10.2076 9.10633 7.4631 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 6.60345 5.73834 6.42289 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 5.48552 12.3391 8.53687 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 8.93002 5.29682 6.64729 5.56656 8.06771 8.13497 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 8.93002 6.20344 9.79538 5.56656 8.06771 7.88519 numMergedOcc 0
63 mol 259 unq 3 iso 0 dist 8.93002 6.20344 9.79538 6.08432 12.3795 7.84554 numMergedOcc 0
64 mol 259 unq 4 iso 0 dist 8.93002 6.20344 9.79538 10.3156 11.1503 7.46176 numMergedOcc 0
65 mol 259 unq 5 iso 0 dist 8.93002 6.20344 9.79538 9.55719 17.0226 9.18903 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 8.73749 9.00498 7.46632 5.7052 11.7413 9.17653 numMergedOcc 0
67 mol 265 unq 0 iso 0 dist 8.09021 6.78702 5.75478 4.75685 9.772 8.4218 numMergedOcc 0
68 mol 265 unq 1 iso 0 dist 6.98451 8.59825 5.75478 11.5105 9.772 8.4218 numMergedOcc 0
