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[0xPusher]: release 0.0.1

/*
START
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data_7LD

_chem_comp.name
"(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide" 

_chem_comp.formula
"C20 H25 N3 O" 

7LD N1  N1  N 0 1 Y N N -25.976 -12.817 6.961  5.157  0.314  0.448  N1  7LD 1  
7LD N3  N2  N 0 1 N N N -21.864 -20.023 10.866 -3.879 0.503  0.291  N3  7LD 2  
7LD C4  C1  C 0 1 Y N N -26.221 -12.989 9.395  4.058  2.564  -0.124 C4  7LD 3  
7LD C5  C2  C 0 1 Y N N -25.866 -13.776 10.490 2.791  3.064  -0.401 C5  7LD 4  
7LD C6  C3  C 0 1 Y N N -24.689 -15.220 9.007  1.704  0.942  -0.174 C6  7LD 5  
7LD C7  C4  C 0 1 Y N N -24.779 -14.611 6.745  3.316  -0.941 0.435  C7  7LD 6  
7LD C8  C5  C 0 1 Y N N -25.338 -13.597 6.082  4.632  -0.957 0.618  C8  7LD 7  
7LD C10 C6  C 0 1 N N N -23.329 -17.078 9.739  -0.607 0.287  0.043  C10 7LD 8  
7LD C13 C7  C 0 1 N N N -23.007 -18.837 8.162  -1.324 -1.921 -0.782 C13 7LD 9  
7LD C15 C8  C 0 1 N N N -23.988 -15.691 6.352  2.217  -1.970 0.493  C15 7LD 10 
7LD C17 C9  C 0 1 N N N -20.534 -20.017 10.238 -3.602 0.630  1.724  C17 7LD 11 
7LD C20 C10 C 0 1 N N N -22.772 -22.256 11.381 -4.952 2.472  -0.686 C20 7LD 12 
7LD N2  N3  N 0 1 N N N -22.935 -17.809 7.116  -0.063 -2.449 -0.252 N2  7LD 13 
7LD C12 C11 C 0 1 N N N -23.226 -18.427 5.814  0.260  -3.748 -0.858 C12 7LD 14 
7LD C11 C12 C 0 1 N N R -23.992 -16.826 7.392  1.048  -1.516 -0.393 C11 7LD 15 
7LD C3  C13 C 0 1 Y N N -25.080 -14.430 8.019  2.993  0.445  0.116  C3  7LD 16 
7LD C1  C14 C 0 1 Y N N -25.812 -13.339 8.177  4.168  1.200  0.143  C1  7LD 17 
7LD C2  C15 C 0 1 Y N N -25.086 -14.914 10.302 1.632  2.292  -0.431 C2  7LD 18 
7LD C9  C16 C 0 1 N N N -23.939 -16.350 8.714  0.644  -0.084 -0.164 C9  7LD 19 
7LD C14 C17 C 0 1 N N R -22.597 -18.247 9.509  -1.735 -0.710 0.062  C14 7LD 20 
7LD C16 C18 C 0 1 N N N -22.857 -19.171 10.533 -2.976 -0.083 -0.520 C16 7LD 21 
7LD O1  O1  O 0 1 N N N -23.959 -19.190 11.081 -3.161 -0.105 -1.718 O1  7LD 22 
7LD C19 C19 C 0 1 N N N -22.040 -21.027 11.928 -5.136 1.013  -0.261 C19 7LD 23 
7LD C18 C20 C 0 1 N N N -19.495 -19.669 11.303 -4.217 -0.557 2.469  C18 7LD 24 
7LD H1  H1  H 0 1 N N N -26.488 -11.986 6.744  6.095  0.542  0.538  H1  7LD 25 
7LD H2  H2  H 0 1 N N N -26.823 -12.103 9.534  4.925  3.208  -0.117 H2  7LD 26 
7LD H3  H3  H 0 1 N N N -26.195 -13.503 11.482 2.700  4.121  -0.606 H3  7LD 27 
7LD H4  H4  H 0 1 N N N -25.284 -13.434 5.016  5.210  -1.836 0.864  H4  7LD 28 
7LD H5  H5  H 0 1 N N N -23.427 -16.722 10.754 -0.826 1.332  0.204  H5  7LD 29 
7LD H6  H6  H 0 1 N N N -24.038 -19.215 8.229  -1.186 -1.615 -1.819 H6  7LD 30 
7LD H7  H7  H 0 1 N N N -22.329 -19.664 7.906  -2.098 -2.687 -0.726 H7  7LD 31 
7LD H8  H8  H 0 1 N N N -24.373 -16.083 5.399  2.596  -2.927 0.133  H8  7LD 32 
7LD H9  H9  H 0 1 N N N -22.954 -15.341 6.214  1.873  -2.078 1.521  H9  7LD 33 
7LD H10 H10 H 0 1 N N N -20.317 -21.011 9.819  -2.525 0.643  1.887  H10 7LD 34 
7LD H11 H11 H 0 1 N N N -20.507 -19.267 9.434  -4.037 1.557  2.097  H11 7LD 35 
7LD H12 H12 H 0 1 N N N -22.896 -22.997 12.184 -5.888 2.851  -1.096 H12 7LD 36 
7LD H13 H13 H 0 1 N N N -23.760 -21.956 11.003 -4.666 3.069  0.180  H13 7LD 37 
7LD H14 H14 H 0 1 N N N -22.185 -22.698 10.562 -4.172 2.533  -1.444 H14 7LD 38 
7LD H16 H16 H 0 1 N N N -22.450 -19.170 5.579  1.136  -4.171 -0.366 H16 7LD 39 
7LD H17 H17 H 0 1 N N N -24.207 -18.922 5.855  -0.586 -4.424 -0.739 H17 7LD 40 
7LD H18 H18 H 0 1 N N N -23.239 -17.651 5.035  0.470  -3.612 -1.919 H18 7LD 41 
7LD H19 H19 H 0 1 N N N -24.952 -17.349 7.266  1.389  -1.582 -1.426 H19 7LD 42 
7LD H20 H20 H 0 1 N N N -24.799 -15.538 11.136 0.680  2.751  -0.655 H20 7LD 43 
7LD H21 H21 H 0 1 N N N -21.522 -18.018 9.473  -1.929 -1.025 1.087  H21 7LD 44 
7LD H22 H22 H 0 1 N N N -21.053 -21.331 12.307 -5.422 0.416  -1.126 H22 7LD 45 
7LD H23 H23 H 0 1 N N N -22.629 -20.589 12.748 -5.917 0.952  0.498  H23 7LD 46 
7LD H24 H24 H 0 1 N N N -18.493 -19.660 10.849 -5.294 -0.570 2.306  H24 7LD 47 
7LD H25 H25 H 0 1 N N N -19.717 -18.676 11.721 -3.782 -1.485 2.096  H25 7LD 48 
7LD H26 H26 H 0 1 N N N -19.527 -20.420 12.106 -4.011 -0.463 3.535  H26 7LD 49  

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