0 mol 5 unq 0 iso 0 dist 9.58876 9.05086 8.68577 4.32004 8.13672 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.58876 4.32004 8.13672 9.05086 8.68577 4.73885 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.09988 7.96442 8.88124 14.3565 8.19484 13.5807 numMergedOcc 0
3 mol 107 unq 0 iso 1 dist 7.09988 14.3565 8.19484 7.96442 8.88124 13.5807 numMergedOcc 0
4 mol 107 unq 1 iso 0 dist 7.73898 6.37998 8.88124 11.5335 8.19484 13.5807 numMergedOcc 0
5 mol 107 unq 1 iso 1 dist 7.73898 11.5335 8.19484 6.37998 8.88124 13.5807 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.83758 11.2375 4.91212 6.87591 9.34782 8.72808 numMergedOcc 0
7 mol 111 unq 0 iso 1 dist 9.83758 6.87591 9.34782 11.2375 4.91212 8.72808 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 6.61697 5.70681 5.31126 5.08157 7.16619 2.75715 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 6.61697 5.08157 7.16619 5.70681 5.31126 2.75715 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.36631 5.86518 5.31126 4.8668 4.49669 5.7147 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 6.36631 4.8668 4.49669 5.86518 5.31126 5.7147 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 6.36631 5.86518 5.31126 8.60367 6.00221 8.09465 numMergedOcc 0
13 mol 113 unq 2 iso 1 dist 6.36631 8.60367 6.00221 5.86518 5.31126 8.09465 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 6.36631 4.8668 4.49669 8.60367 6.00221 3.74304 numMergedOcc 0
15 mol 113 unq 2 iso 1 dist 6.36631 8.60367 6.00221 4.8668 4.49669 3.74304 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 6.24308 5.86518 7.16619 4.8668 5.88896 5.7147 numMergedOcc 0
17 mol 113 unq 3 iso 1 dist 6.24308 4.8668 5.88896 5.86518 7.16619 5.7147 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.60192 7.33656 5.86379 10.5073 6.21029 3.19822 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 9.60192 10.5073 6.21029 7.33656 5.86379 3.19822 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.82655 10.5817 5.86379 13.8778 8.64686 3.66281 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 9.82655 13.8778 8.64686 10.5817 5.86379 3.66281 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 8.0889 8.14689 7.84207 5.74365 8.56947 8.68088 numMergedOcc 0
23 mol 120 unq 0 iso 1 dist 8.0889 5.74365 8.56947 8.14689 7.84207 8.68088 numMergedOcc 0
24 mol 128 unq 0 iso 0 dist 4.26814 5.74684 7.76123 5.15271 6.08651 4.97239 numMergedOcc 0
25 mol 128 unq 0 iso 1 dist 4.26814 5.15271 6.08651 5.74684 7.76123 4.97239 numMergedOcc 0
26 mol 128 unq 1 iso 0 dist 7.66528 10.2523 7.76123 5.43682 6.08651 4.97239 numMergedOcc 0
27 mol 128 unq 1 iso 1 dist 7.66528 5.43682 6.08651 10.2523 7.76123 4.97239 numMergedOcc 0
28 mol 128 unq 2 iso 0 dist 9.40919 11.9584 7.76123 7.78871 6.08651 4.97239 numMergedOcc 0
29 mol 128 unq 2 iso 1 dist 9.40919 7.78871 6.08651 11.9584 7.76123 4.97239 numMergedOcc 0
30 mol 193 unq 0 iso 0 dist 8.29723 14.1573 8.30069 13.7342 8.83551 4.75086 numMergedOcc 0
31 mol 193 unq 0 iso 1 dist 8.29723 13.7342 8.83551 14.1573 8.30069 4.75086 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 8.47283 10.816 9.93489 4.27546 7.64057 8.59834 numMergedOcc 0
33 mol 204 unq 0 iso 1 dist 8.47283 4.27546 7.64057 10.816 9.93489 8.59834 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 8.80049 13.8734 7.85841 15.5851 9.20109 3.15539 numMergedOcc 0
35 mol 254 unq 0 iso 1 dist 8.80049 15.5851 9.20109 13.8734 7.85841 3.15539 numMergedOcc 0
36 mol 260 unq 0 iso 0 dist 4.54064 8.11438 7.04263 3.43932 6.48099 8.76827 numMergedOcc 0
37 mol 260 unq 0 iso 1 dist 4.54064 3.43932 6.48099 8.11438 7.04263 8.76827 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 7.96613 6.80038 7.8598 4.5731 7.80711 3.00605 numMergedOcc 0
39 mol 266 unq 0 iso 1 dist 7.96613 4.5731 7.80711 6.80038 7.8598 3.00605 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 7.5689 6.06807 5.33372 9.10512 6.56886 10.2487 numMergedOcc 0
41 mol 281 unq 0 iso 1 dist 7.5689 9.10512 6.56886 6.06807 5.33372 10.2487 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 5.93983 8.32005 5.88958 7.07384 7.78121 4.87372 numMergedOcc 0
43 mol 285 unq 0 iso 1 dist 5.93983 7.07384 7.78121 8.32005 5.88958 4.87372 numMergedOcc 0
