0 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 7.15287 5.99459 12.2041 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.96415 7.15287 5.99459 14.6751 9.67164 12.2041 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.88243 5.46061 8.66539 7.93761 5.38524 5.79773 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.88243 7.93761 5.38524 5.46061 8.66539 5.79773 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.88243 5.46061 8.66539 13.2851 8.69057 10.8779 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 6.88243 13.2851 8.69057 5.46061 8.66539 10.8779 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.88243 7.93761 5.38524 13.2851 8.69057 5.47421 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 6.88243 13.2851 8.69057 7.93761 5.38524 5.47421 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.90923 14.8791 9.8703 5.31976 7.39665 14.224 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 9.90923 5.31976 7.39665 14.8791 9.8703 14.224 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 6.97502 5.61588 8.07446 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 5.82056 6.97502 5.61588 4.30874 5.5087 8.07446 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 6.97502 7.83244 8.07446 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.09115 6.97502 7.83244 4.30874 6.08682 8.07446 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.76849 6.06775 7.51139 14.7449 7.80898 12.1547 numMergedOcc 0
15 mol 88 unq 0 iso 1 dist 9.76849 14.7449 7.80898 6.06775 7.51139 12.1547 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 6.67589 7.7152 6.59884 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 8.23073 6.67589 7.7152 7.95165 8.27883 6.59884 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 11.8999 7.89457 4.35917 numMergedOcc 0
19 mol 132 unq 0 iso 1 dist 8.62632 11.8999 7.89457 11.6877 6.89918 4.35917 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 13.4463 6.70693 7.65448 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 9.17216 13.4463 6.70693 6.62991 6.59889 7.65448 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 11.3742 6.70693 7.65448 numMergedOcc 0
23 mol 152 unq 1 iso 1 dist 9.40483 11.3742 6.70693 7.17016 6.59889 7.65448 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 4.681 5.05973 11.5866 numMergedOcc 0
25 mol 181 unq 0 iso 1 dist 8.39573 4.681 5.05973 12.5935 9.01624 11.5866 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.27578 7.82249 9.3498 9.09826 7.05695 6.83796 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 5.27578 9.09826 7.05695 7.82249 9.3498 6.83796 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.25953 5.47219 9.3498 6.51869 7.05695 6.83796 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 8.25953 6.51869 7.05695 5.47219 9.3498 6.83796 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 6.98794 6.34098 5.64942 9.57246 6.97962 5.76246 numMergedOcc 0
31 mol 192 unq 0 iso 1 dist 6.98794 9.57246 6.97962 6.34098 5.64942 5.76246 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.867 6.45734 7.21137 15.4114 8.4844 10.817 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 9.867 15.4114 8.4844 6.45734 7.21137 10.817 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 10.8616 9.78218 10.3613 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 8.57781 10.8616 9.78218 15.4433 8.08349 10.3613 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 6.91193 9.78218 10.3613 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 5.36326 6.91193 9.78218 4.55824 8.08349 10.3613 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.94981 17.0867 8.1945 6.89798 6.50998 13.3965 numMergedOcc 0
39 mol 225 unq 0 iso 1 dist 8.94981 6.89798 6.50998 17.0867 8.1945 13.3965 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 numMergedOcc 0
41 mol 238 unq 0 iso 1 dist 9.67281 11.2453 9.72188 7.01206 9.12776 15.7907 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 8.07576 9.52592 9.82601 7.54315 6.50357 5.19086 numMergedOcc 0
43 mol 251 unq 0 iso 1 dist 8.07576 7.54315 6.50357 9.52592 9.82601 5.19086 numMergedOcc 0
44 mol 251 unq 1 iso 0 dist 6.17824 5.99541 9.82601 6.33949 6.50357 5.19086 numMergedOcc 0
45 mol 251 unq 1 iso 1 dist 6.17824 6.33949 6.50357 5.99541 9.82601 5.19086 numMergedOcc 0
46 mol 255 unq 0 iso 0 dist 7.58813 9.02294 6.87333 4.15604 9.86207 8.04381 numMergedOcc 0
47 mol 255 unq 0 iso 1 dist 7.58813 4.15604 9.86207 9.02294 6.87333 8.04381 numMergedOcc 0
48 mol 257 unq 0 iso 0 dist 8.27649 5.54149 6.34915 10.8918 7.81897 5.74182 numMergedOcc 0
49 mol 257 unq 0 iso 1 dist 8.27649 10.8918 7.81897 5.54149 6.34915 5.74182 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 12.3834 6.9899 9.98105 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 8.40328 12.3834 6.9899 6.18571 5.85442 9.98105 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 8.2518 11.0067 9.46361 6.18571 6.95511 6.96053 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 8.2518 6.18571 6.95511 11.0067 9.46361 6.96053 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.91103 16.3552 9.57499 10.4297 5.46926 7.69449 numMergedOcc 0
55 mol 277 unq 0 iso 1 dist 9.91103 10.4297 5.46926 16.3552 9.57499 7.69449 numMergedOcc 0
56 mol 277 unq 1 iso 0 dist 9.91103 16.3552 9.57499 5.77904 8.9682 11.8268 numMergedOcc 0
57 mol 277 unq 1 iso 1 dist 9.91103 5.77904 8.9682 16.3552 9.57499 11.8268 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 9.91103 10.4297 5.46926 5.77904 8.9682 7.08227 numMergedOcc 0
59 mol 277 unq 1 iso 1 dist 9.91103 5.77904 8.9682 10.4297 5.46926 7.08227 numMergedOcc 0
60 mol 277 unq 2 iso 0 dist 7.0603 10.4297 5.13913 5.77904 6.92711 7.08227 numMergedOcc 0
61 mol 277 unq 2 iso 1 dist 7.0603 5.77904 6.92711 10.4297 5.13913 7.08227 numMergedOcc 0
62 mol 280 unq 0 iso 0 dist 7.4869 6.07005 6.02353 7.38048 6.86234 5.51836 numMergedOcc 0
63 mol 280 unq 0 iso 1 dist 7.4869 7.38048 6.86234 6.07005 6.02353 5.51836 numMergedOcc 0
