0 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 7.15287 5.99459 12.2041 14.5008 13.156 7.10621 12.2333 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.96415 7.15287 5.99459 14.6751 9.67164 12.2041 6.22892 6.88805 8.41585 10.5461 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 5.46061 8.66539 5.79773 11.2558 5.61579 6.81627 11.715 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.88243 7.93761 5.38524 13.2851 8.69057 5.47421 11.2558 5.61579 6.81627 7.32874 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.88243 13.2851 8.69057 5.46061 8.66539 10.8779 11.2558 5.61579 7.32874 11.715 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.88243 13.2851 8.69057 7.93761 5.38524 5.47421 11.2558 5.61579 7.32874 6.81627 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 6.97502 5.61588 8.07446 11.6749 11.2069 8.70481 16.0098 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 6.97502 7.83244 8.07446 11.6749 10.6713 8.70481 16.0098 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.76849 14.7449 7.80898 6.06775 7.51139 12.1547 15.7759 12.1193 9.36773 16.8013 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 6.67589 7.7152 6.59884 10.1171 4.99174 9.03572 11.5113 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 6.67589 7.7152 6.59884 14.2142 8.67311 8.83255 12.9844 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 8.23073 7.95165 8.27883 6.67589 7.7152 6.59884 14.7115 15.6249 8.03644 11.3446 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 11.8999 7.89457 4.35917 17.544 12.9631 7.7059 11.5751 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 13.4463 6.70693 7.65448 11.2249 5.39112 8.56324 6.70283 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 6.62991 6.59889 7.65448 13.9365 4.94983 5.87555 10.399 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 9.17216 13.4463 6.70693 6.62991 6.59889 7.65448 11.2249 5.39112 6.70283 8.56324 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 9.17216 13.4463 6.70693 6.62991 6.59889 7.65448 17.5113 9.67475 8.67331 14.1618 numMergedOcc 0
17 mol 152 unq 4 iso 0 dist 9.40483 7.17016 6.59889 11.3742 6.70693 7.65448 13.9298 5.39112 8.56324 6.70283 numMergedOcc 0
18 mol 152 unq 5 iso 0 dist 9.40483 11.3742 6.70693 7.17016 6.59889 7.65448 13.1463 4.94983 5.87555 10.399 numMergedOcc 0
19 mol 152 unq 6 iso 0 dist 9.40483 11.3742 6.70693 7.17016 6.59889 7.65448 13.9298 5.39112 6.70283 8.56324 numMergedOcc 0
20 mol 152 unq 7 iso 0 dist 9.40483 11.3742 6.70693 7.17016 6.59889 7.65448 18.3042 9.67475 8.67331 14.1618 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 4.681 5.05973 11.5866 13.3844 5.71898 7.81386 9.81747 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 4.681 5.05973 11.5866 9.63295 5.93724 7.63312 9.11469 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 6.98794 6.34098 5.64942 9.57246 6.97962 5.76246 11.1541 6.35474 5.59424 7.00794 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 6.98794 9.57246 6.97962 6.34098 5.64942 5.76246 11.1541 6.35474 7.00794 5.59424 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 10.8616 9.78218 10.3613 13.3678 5.13732 6.61986 13.4025 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 6.91193 9.78218 10.3613 7.04127 5.13732 6.61986 13.4025 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 13.8075 10.3162 7.31233 19.5656 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.67281 11.2453 9.72188 7.01206 9.12776 15.7907 11.7876 7.06793 5.72887 14.6111 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 12.3834 6.9899 9.98105 13.6279 10.067 7.46176 12.0576 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 6.18571 5.85442 9.98105 14.9752 7.09907 5.30224 11.858 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 8.2518 11.0067 9.46361 6.18571 6.95511 6.96053 16.342 12.2293 8.13497 10.3935 numMergedOcc 0
32 mol 259 unq 3 iso 0 dist 8.2518 11.0067 9.46361 6.18571 6.95511 6.96053 13.6279 11.6988 7.88519 7.46176 numMergedOcc 0
33 mol 259 unq 4 iso 0 dist 8.2518 6.18571 6.95511 11.0067 9.46361 6.96053 13.6279 11.6988 7.46176 7.88519 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 16.3552 9.57499 11.8268 8.35794 17.6038 9.7748 21.4606 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 10.4297 5.46926 7.08227 8.35794 17.6038 9.7748 16.3537 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 7.0603 5.77904 6.92711 10.4297 5.13913 7.08227 8.35794 14.772 9.7748 16.3537 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 7.4869 6.07005 6.02353 7.38048 6.86234 5.51836 10.6192 4.90315 6.53701 6.0664 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 7.4869 7.38048 6.86234 6.07005 6.02353 5.51836 10.6192 4.90315 6.0664 6.53701 numMergedOcc 0
