0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 6.88805 8.81608 8.0744 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 12.3097 6.96586 6.88805 8.81608 11.7002 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 5.44992 7.45262 13.156 8.81608 8.0744 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 4.74523 6.96586 13.156 8.81608 11.7002 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 6.33889 11.0722 9.82483 5.84314 9.81658 8.17486 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.82012 15.2834 9.25649 5.56139 5.84066 14.3725 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.82012 14.0729 9.36104 5.56139 5.84066 11.3426 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.16962 17.7956 9.25649 8.25132 5.84066 14.3725 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 9.16962 15.23 9.36104 8.25132 5.84066 11.3426 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.39889 4.91594 9.05798 6.30721 6.55202 9.75037 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.39889 4.91594 9.05798 14.443 9.08536 13.2984 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 7.39889 9.3046 5.85818 6.30721 6.55202 6.71103 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 7.39889 9.3046 5.85818 14.443 9.08536 6.29394 numMergedOcc 0
13 mol 119 unq 4 iso 0 dist 9.63176 12.7179 9.05798 6.9194 6.55202 9.75037 numMergedOcc 0
14 mol 119 unq 5 iso 0 dist 9.63176 12.7179 9.05798 9.68677 9.08536 13.2984 numMergedOcc 0
15 mol 119 unq 6 iso 0 dist 9.63176 4.91132 5.85818 6.9194 6.55202 6.71103 numMergedOcc 0
16 mol 119 unq 7 iso 0 dist 9.63176 4.91132 5.85818 9.68677 9.08536 6.29394 numMergedOcc 0
17 mol 119 unq 8 iso 0 dist 6.19042 7.61939 9.87025 6.20019 6.13374 6.29394 numMergedOcc 0
18 mol 119 unq 9 iso 0 dist 7.44174 9.15779 9.05798 12.4621 6.55202 9.75037 numMergedOcc 0
19 mol 119 unq 10 iso 0 dist 7.44174 9.15779 9.05798 6.20019 9.08536 13.2984 numMergedOcc 0
20 mol 119 unq 11 iso 0 dist 7.44174 7.61939 5.85818 12.4621 6.55202 6.71103 numMergedOcc 0
21 mol 119 unq 12 iso 0 dist 7.44174 7.61939 5.85818 6.20019 9.08536 6.29394 numMergedOcc 0
22 mol 119 unq 13 iso 0 dist 8.43904 10.326 9.87025 4.39676 6.13374 6.29394 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.79146 7.55374 6.42785 4.66904 8.9677 5.77497 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.79146 9.44878 6.82089 4.66904 8.9677 12.7192 numMergedOcc 0
25 mol 130 unq 2 iso 0 dist 7.66168 11.576 6.42785 11.1455 8.9677 5.77497 numMergedOcc 0
26 mol 130 unq 3 iso 0 dist 7.66168 4.28797 6.82089 11.1455 8.9677 12.7192 numMergedOcc 0
27 mol 130 unq 4 iso 0 dist 6.89257 5.97111 6.42785 7.52422 8.9677 5.77497 numMergedOcc 0
28 mol 130 unq 5 iso 0 dist 6.89257 6.97875 6.82089 7.52422 8.9677 12.7192 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 7.92688 8.6769 9.4062 14.8533 9.10003 11.7892 numMergedOcc 0
30 mol 140 unq 0 iso 0 dist 8.19104 11.5685 8.06396 4.91618 6.88846 7.06747 numMergedOcc 0
31 mol 140 unq 1 iso 0 dist 8.19104 8.83949 8.01587 4.91618 6.88846 7.10913 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 7.63293 7.05845 3.75378 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 7.31468 7.11704 7.88655 7.63293 7.05845 9.30534 numMergedOcc 0
34 mol 143 unq 2 iso 0 dist 7.7056 11.488 8.1582 11.903 7.05845 3.75378 numMergedOcc 0
35 mol 143 unq 3 iso 0 dist 7.7056 9.53139 7.88655 11.903 7.05845 9.30534 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 7.93331 6.65184 7.54706 12.4131 8.62366 9.35572 numMergedOcc 0
37 mol 173 unq 1 iso 0 dist 7.93331 6.65184 7.54706 8.85462 9.44973 5.74438 numMergedOcc 0
38 mol 173 unq 2 iso 0 dist 7.93331 6.65184 7.54706 6.91529 6.52508 8.43374 numMergedOcc 0
39 mol 173 unq 3 iso 0 dist 6.98095 4.68119 7.54706 12.5815 8.62366 9.35572 numMergedOcc 0
40 mol 173 unq 4 iso 0 dist 6.98095 4.68119 7.54706 9.65654 9.44973 5.74438 numMergedOcc 0
41 mol 173 unq 5 iso 0 dist 6.98095 4.68119 7.54706 9.44845 6.52508 8.43374 numMergedOcc 0
42 mol 173 unq 6 iso 0 dist 8.31897 6.6407 7.54706 8.63452 8.62366 9.35572 numMergedOcc 0
43 mol 173 unq 7 iso 0 dist 8.31897 6.6407 7.54706 4.83786 9.44973 5.74438 numMergedOcc 0
44 mol 173 unq 8 iso 0 dist 8.31897 6.6407 7.54706 3.74688 6.52508 8.43374 numMergedOcc 0
45 mol 175 unq 0 iso 0 dist 9.31887 13.9336 7.01126 5.00913 9.76114 15.0659 numMergedOcc 0
46 mol 175 unq 1 iso 0 dist 9.31887 11.873 6.58434 5.00913 9.76114 10.6405 numMergedOcc 0
47 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 13.8904 7.59939 6.19242 numMergedOcc 0
48 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 10.3179 7.59939 6.19242 numMergedOcc 0
49 mol 197 unq 0 iso 0 dist 8.99696 15.4462 9.71865 17.0276 9.27218 15.0713 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 7.46831 5.63388 5.10114 11.1534 8.70987 5.73082 numMergedOcc 0
51 mol 214 unq 1 iso 0 dist 8.60247 6.214 5.10114 7.19184 8.70987 5.73082 numMergedOcc 0
52 mol 218 unq 0 iso 0 dist 7.17547 10.3246 9.67381 15.6802 8.61306 13.7733 numMergedOcc 0
53 mol 218 unq 1 iso 0 dist 7.17547 5.7776 6.61099 15.6802 8.61306 13.0451 numMergedOcc 0
54 mol 218 unq 2 iso 0 dist 7.13323 9.8301 9.67381 13.7327 8.61306 13.7733 numMergedOcc 0
55 mol 218 unq 3 iso 0 dist 7.13323 9.97783 6.61099 13.7327 8.61306 13.0451 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 4.1511 7.79951 11.2819 numMergedOcc 0
57 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 4.69247 7.79951 11.2819 numMergedOcc 0
58 mol 235 unq 0 iso 0 dist 9.58736 15.0089 9.31673 13.7306 7.02029 9.78535 numMergedOcc 0
59 mol 235 unq 1 iso 0 dist 9.43058 11.1908 9.31673 7.31605 7.02029 9.78535 numMergedOcc 0
60 mol 235 unq 2 iso 0 dist 8.75735 7.87789 9.31673 4.12497 7.02029 9.78535 numMergedOcc 0
61 mol 235 unq 3 iso 0 dist 6.98084 11.5211 9.31673 8.26028 7.02029 9.78535 numMergedOcc 0
62 mol 235 unq 4 iso 0 dist 7.32211 6.65703 9.31673 10.7187 7.02029 9.78535 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 5.38637 11.1167 8.6597 13.378 9.38131 4.14399 numMergedOcc 0
64 mol 238 unq 1 iso 0 dist 6.55759 7.83352 8.6597 10.4966 9.38131 4.14399 numMergedOcc 0
65 mol 238 unq 2 iso 0 dist 8.96531 7.69482 7.47235 5.79187 6.85253 4.14399 numMergedOcc 0
66 mol 238 unq 3 iso 0 dist 7.02475 7.83352 7.47235 10.4966 6.85253 4.14399 numMergedOcc 0
67 mol 238 unq 4 iso 0 dist 7.67322 11.0349 7.61203 5.71717 7.39547 8.5378 numMergedOcc 0
68 mol 238 unq 5 iso 0 dist 7.49471 13.0113 6.89694 12.7938 5.43613 5.63944 numMergedOcc 0
69 mol 238 unq 6 iso 0 dist 7.49471 13.0113 6.89694 6.82305 7.24334 8.5378 numMergedOcc 0
70 mol 238 unq 7 iso 0 dist 7.49471 10.216 6.44735 12.7938 5.43613 6.94907 numMergedOcc 0
71 mol 238 unq 8 iso 0 dist 7.49471 10.216 6.44735 6.82305 7.24334 11.4389 numMergedOcc 0
72 mol 238 unq 9 iso 0 dist 7.19008 11.0349 6.89694 11.0772 5.43613 5.63944 numMergedOcc 0
73 mol 238 unq 10 iso 0 dist 7.19008 11.0349 6.89694 5.71717 7.24334 8.5378 numMergedOcc 0
74 mol 238 unq 11 iso 0 dist 7.19008 7.83352 6.44735 11.0772 5.43613 6.94907 numMergedOcc 0
75 mol 238 unq 12 iso 0 dist 7.19008 7.83352 6.44735 5.71717 7.24334 11.4389 numMergedOcc 0
76 mol 248 unq 0 iso 0 dist 6.07192 5.99459 8.53148 4.58289 5.0345 7.14182 numMergedOcc 0
77 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 10.282 8.84648 4.67584 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 7.48005 5.60748 6.39918 10.067 6.23661 7.32929 numMergedOcc 0
79 mol 259 unq 2 iso 0 dist 8.37865 7.31951 6.39918 4.04513 8.84648 4.67584 numMergedOcc 0
80 mol 259 unq 3 iso 0 dist 8.37865 7.31951 6.39918 7.09907 6.23661 7.32929 numMergedOcc 0
