WKC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C04 | sing | 1.54Å | 1.56Å | |
C03 | N02 | sing | 1.47Å | 1.48Å | |
C01 | N02 | sing | 1.47Å | 1.46Å | |
C04 | N05 | sing | 1.47Å | 1.48Å | |
N02 | C34 | sing | 1.34Å | 1.45Å | |
C07 | C08 | sing | 1.53Å | 1.52Å | |
C07 | C06 | sing | 1.53Å | 1.51Å | |
N05 | C34 | sing | 1.34Å | 1.42Å | |
N05 | C06 | sing | 1.46Å | 1.48Å | |
C34 | O35 | doub | 1.22Å | 1.23Å | |
C08 | C09 | sing | 1.53Å | 1.56Å | |
C06 | C11 | sing | 1.53Å | 1.58Å | |
C29 | C28 | sing | 1.53Å | 1.55Å | |
C29 | N30 | sing | 1.47Å | 1.54Å | |
C11 | N10 | sing | 1.47Å | 1.50Å | |
C09 | N10 | sing | 1.47Å | 1.52Å | |
C28 | C27 | sing | 1.53Å | 1.56Å | |
N30 | C31 | sing | 1.47Å | 1.54Å | |
C31 | C32 | sing | 1.53Å | 1.56Å | |
C27 | C32 | sing | 1.53Å | 1.55Å | |
C27 | C24 | sing | 1.51Å | 1.66Å | |
N10 | C12 | sing | 1.38Å | 1.52Å | |
C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.44Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
C22 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
C12 | N33 | doub | 1.33Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
N33 | C19 | sing | 1.33Å | 1.41Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
C13 | N14 | doub | 1.31Å | 1.40Å | Aromatic |
C21 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
C21 | N20 | sing | 1.40Å | 1.49Å | |
C19 | N20 | sing | 1.38Å | 1.52Å | |
C19 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
N14 | C15 | sing | 1.33Å | 1.33Å | Aromatic |
C15 | C16 | sing | 1.47Å | 1.52Å | |
C16 | O18 | doub | 1.22Å | 1.24Å | |
C16 | N17 | sing | 1.35Å | 1.40Å | |
C11 | H1 | sing | 1.09Å | 1.10Å | |
C11 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C09 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C22 | H16 | sing | 1.08Å | 1.08Å | |
C23 | H17 | sing | 1.08Å | 1.08Å | |
C25 | H18 | sing | 1.08Å | 1.08Å | |
C26 | H19 | sing | 1.08Å | 1.08Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C28 | H21 | sing | 1.09Å | 1.10Å | |
C28 | H22 | sing | 1.09Å | 1.10Å | |
C29 | H23 | sing | 1.09Å | 1.10Å | |
C29 | H24 | sing | 1.09Å | 1.10Å | |
C31 | H25 | sing | 1.09Å | 1.10Å | |
C31 | H26 | sing | 1.09Å | 1.10Å | |
C32 | H27 | sing | 1.09Å | 1.10Å | |
C32 | H28 | sing | 1.09Å | 1.10Å | |
N17 | H29 | sing | 0.97Å | 1.00Å | |
N17 | H30 | sing | 0.97Å | 1.00Å | |
N20 | H31 | sing | 0.97Å | 1.00Å | |
N30 | H32 | sing | 1.01Å | 1.00Å | |
C03 | H34 | sing | 1.09Å | 1.10Å | |
C04 | H35 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | C03 | N02 | 106.1° | 103.8° |
C03 | C04 | N05 | 106.5° | 103.9° |
C04 | C03 | H7 | 110.3° | 110.6° |
C03 | C04 | H8 | 110.2° | 110.6° |
C04 | C03 | H34 | 110.3° | 110.6° |
C03 | C04 | H35 | 110.2° | 110.5° |
C03 | N02 | C01 | 124.4° | 125.4° |
C03 | N02 | C34 | 107.2° | 109.2° |
N02 | C03 | H7 | 110.3° | 110.5° |
N02 | C03 | H34 | 110.3° | 110.5° |
C01 | N02 | C34 | 128.4° | 125.4° |
N02 | C01 | H4 | 109.5° | 109.5° |
N02 | C01 | H5 | 109.5° | 109.5° |
N02 | C01 | H6 | 109.5° | 109.5° |
C04 | N05 | C34 | 107.7° | 109.2° |
C04 | N05 | C06 | 126.4° | 125.4° |
N05 | C04 | H8 | 110.2° | 110.5° |
N05 | C04 | H35 | 110.2° | 110.5° |
N02 | C34 | N05 | 112.6° | 113.9° |
N02 | C34 | O35 | 124.5° | 123.0° |
C08 | C07 | C06 | 111.3° | 109.2° |
C07 | C08 | C09 | 112.5° | 109.3° |
C08 | C07 | H10 | 109.0° | 109.5° |
C08 | C07 | H11 | 109.0° | 109.5° |
C07 | C08 | H12 | 108.7° | 109.5° |
C07 | C08 | H13 | 108.7° | 109.5° |
C07 | C06 | N05 | 111.8° | 109.6° |
C07 | C06 | C11 | 109.4° | 109.2° |
C07 | C06 | H9 | 107.5° | 109.5° |
C06 | C07 | H10 | 109.0° | 109.6° |
C06 | C07 | H11 | 109.0° | 109.6° |
C34 | N05 | C06 | 125.9° | 125.4° |
N05 | C34 | O35 | 123.0° | 123.1° |
N05 | C06 | C11 | 113.3° | 109.5° |
N05 | C06 | H9 | 107.9° | 109.5° |
C08 | C09 | N10 | 114.8° | 109.6° |
C09 | C08 | H12 | 108.7° | 109.5° |
C09 | C08 | H13 | 108.7° | 109.5° |
C08 | C09 | H14 | 108.1° | 109.5° |
C08 | C09 | H15 | 108.1° | 109.5° |
C06 | C11 | N10 | 109.6° | 109.5° |
C06 | C11 | H1 | 109.5° | 109.5° |
C06 | C11 | H2 | 109.5° | 109.4° |
C11 | C06 | H9 | 106.6° | 109.5° |
C28 | C29 | N30 | 111.8° | 109.5° |
C29 | C28 | C27 | 117.9° | 109.3° |
C29 | C28 | H21 | 107.3° | 109.6° |
C29 | C28 | H22 | 107.3° | 109.5° |
C28 | C29 | H23 | 108.9° | 109.5° |
C28 | C29 | H24 | 108.9° | 109.5° |
C29 | N30 | C31 | 109.8° | 111.2° |
N30 | C29 | H23 | 108.9° | 109.5° |
N30 | C29 | H24 | 108.9° | 109.4° |
C29 | N30 | H32 | 109.4° | 111.0° |
C11 | N10 | C09 | 109.9° | 111.2° |
C11 | N10 | C12 | 117.2° | 111.0° |
N10 | C11 | H1 | 109.4° | 109.5° |
N10 | C11 | H2 | 109.4° | 109.4° |
C09 | N10 | C12 | 121.4° | 111.1° |
N10 | C09 | H14 | 108.1° | 109.5° |
N10 | C09 | H15 | 108.1° | 109.5° |
C28 | C27 | C32 | 107.5° | 109.2° |
C28 | C27 | C24 | 109.2° | 109.5° |
C28 | C27 | H20 | 109.1° | 109.6° |
C27 | C28 | H21 | 107.3° | 109.5° |
C27 | C28 | H22 | 107.3° | 109.5° |
N30 | C31 | C32 | 111.0° | 109.5° |
N30 | C31 | H25 | 109.1° | 109.5° |
N30 | C31 | H26 | 109.1° | 109.5° |
C31 | N30 | H32 | 109.4° | 111.0° |
C31 | C32 | C27 | 116.2° | 109.3° |
C32 | C31 | H25 | 109.1° | 109.4° |
C32 | C31 | H26 | 109.1° | 109.5° |
C31 | C32 | H27 | 107.8° | 109.5° |
C31 | C32 | H28 | 107.8° | 109.5° |
C32 | C27 | C24 | 113.7° | 109.6° |
C32 | C27 | H20 | 109.3° | 109.5° |
C27 | C32 | H27 | 107.8° | 109.5° |
C27 | C32 | H28 | 107.8° | 109.5° |
C27 | C24 | C23 | 119.4° | 120.0° |
C27 | C24 | C25 | 120.2° | 119.9° |
C24 | C27 | H20 | 108.0° | 109.5° |
N10 | C12 | N33 | 120.1° | 119.9° |
N10 | C12 | C13 | 120.0° | 120.0° |
C24 | C23 | C22 | 119.1° | 120.1° |
C23 | C24 | C25 | 120.4° | 120.2° |
C24 | C23 | H17 | 120.4° | 119.9° |
C23 | C22 | C21 | 121.6° | 119.9° |
C23 | C22 | H16 | 119.2° | 120.0° |
C22 | C23 | H17 | 120.4° | 120.0° |
C24 | C25 | C26 | 120.6° | 120.0° |
C24 | C25 | H18 | 119.7° | 120.0° |
C22 | C21 | C26 | 119.0° | 119.9° |
C22 | C21 | N20 | 119.1° | 120.1° |
C21 | C22 | H16 | 119.2° | 120.0° |
N33 | C12 | C13 | 119.8° | 120.2° |
C12 | N33 | C19 | 121.8° | 119.9° |
C12 | C13 | N14 | 117.9° | 120.2° |
C12 | C13 | H3 | 121.1° | 119.9° |
N33 | C19 | N20 | 123.6° | 120.1° |
N33 | C19 | C15 | 116.1° | 119.8° |
C25 | C26 | C21 | 119.3° | 119.9° |
C26 | C25 | H18 | 119.7° | 120.0° |
C25 | C26 | H19 | 120.4° | 120.0° |
C13 | N14 | C15 | 121.6° | 120.1° |
N14 | C13 | H3 | 121.1° | 119.8° |
C26 | C21 | N20 | 121.9° | 120.1° |
C21 | C26 | H19 | 120.3° | 120.0° |
C21 | N20 | C19 | 127.0° | 120.0° |
C21 | N20 | H31 | 116.4° | 120.0° |
N20 | C19 | C15 | 120.2° | 120.1° |
C19 | N20 | H31 | 116.5° | 120.0° |
C19 | C15 | N14 | 122.7° | 119.8° |
C19 | C15 | C16 | 119.5° | 120.1° |
N14 | C15 | C16 | 117.7° | 120.1° |
C15 | C16 | O18 | 113.9° | 120.0° |
C15 | C16 | N17 | 126.2° | 120.0° |
O18 | C16 | N17 | 119.8° | 120.0° |
C16 | N17 | H29 | 120.0° | 120.0° |
C16 | N17 | H30 | 120.0° | 120.0° |
H1 | C11 | H2 | 109.5° | 109.4° |
H4 | C01 | H5 | 109.4° | 109.5° |
H4 | C01 | H6 | 109.5° | 109.4° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C03 | H34 | 109.5° | 110.6° |
H8 | C04 | H35 | 109.5° | 110.6° |
H10 | C07 | H11 | 109.4° | 109.6° |
H12 | C08 | H13 | 109.4° | 109.5° |
H14 | C09 | H15 | 109.5° | 109.4° |
H21 | C28 | H22 | 109.4° | 109.5° |
H23 | C29 | H24 | 109.5° | 109.4° |
H25 | C31 | H26 | 109.4° | 109.5° |
H27 | C32 | H28 | 109.5° | 109.5° |
H29 | N17 | H30 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C04 | C03 | N02 | H7 | 119.5° | 118.7° |
C04 | C03 | N02 | H34 | 119.5° | 118.6° |
C04 | C03 | N02 | C01 | 180.0° | 180.0° |
C03 | C04 | N05 | H8 | 119.5° | 118.6° |
C03 | C04 | N05 | H35 | 119.5° | 118.6° |
C04 | C03 | N02 | C34 | 0.4° | 0.1° |
C03 | C04 | N05 | C34 | 0.1° | 0.0° |
C03 | C04 | N05 | C06 | 179.5° | 180.0° |
C04 | C03 | H7 | H34 | 121.6° | 122.8° |
C03 | C04 | H8 | H35 | 121.4° | 122.8° |
C03 | N02 | C01 | C34 | 179.5° | 179.9° |
N02 | C03 | C04 | N05 | 0.3° | 0.0° |
C03 | N02 | C34 | N05 | 0.4° | 0.1° |
C03 | N02 | C34 | O35 | 179.6° | 180.0° |
C03 | N02 | C01 | H4 | 180.0° | 90.0° |
C03 | N02 | C01 | H5 | 60.0° | 150.0° |
C03 | N02 | C01 | H6 | 60.0° | 29.9° |
N02 | C03 | H7 | H34 | 121.6° | 122.7° |
N02 | C03 | C04 | H8 | 119.8° | 118.6° |
N02 | C03 | C04 | H35 | 119.3° | 118.6° |
C01 | N02 | C34 | N05 | 179.9° | 180.0° |
C01 | N02 | C34 | O35 | 0.8° | 0.1° |
N02 | C01 | H4 | H5 | 120.0° | 120.0° |
N02 | C01 | H4 | H6 | 120.0° | 119.9° |
N02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | N02 | C03 | H7 | 60.5° | 61.3° |
C01 | N02 | C03 | H34 | 60.5° | 61.4° |
C04 | N05 | C34 | N02 | 0.2° | 0.0° |
C04 | N05 | C06 | C07 | 72.8° | 129.8° |
C04 | N05 | C34 | C06 | 179.6° | 180.0° |
C04 | N05 | C34 | O35 | 179.4° | 180.0° |
C04 | N05 | C06 | C11 | 51.4° | 10.0° |
N05 | C04 | C03 | H7 | 119.7° | 118.6° |
N05 | C04 | H8 | H35 | 121.4° | 122.8° |
C04 | N05 | C06 | H9 | 169.2° | 110.1° |
N05 | C04 | C03 | H34 | 119.2° | 118.6° |
N02 | C34 | N05 | O35 | 179.3° | 179.9° |
N02 | C34 | N05 | C06 | 179.8° | 180.0° |
C34 | N02 | C01 | H4 | 0.5° | 90.1° |
C34 | N02 | C01 | H5 | 120.5° | 29.9° |
C34 | N02 | C01 | H6 | 119.5° | 150.0° |
C34 | N02 | C03 | H7 | 119.9° | 118.6° |
C34 | N02 | C03 | H34 | 119.1° | 118.7° |
C08 | C07 | C06 | H10 | 120.3° | 119.9° |
C08 | C07 | C06 | H11 | 120.3° | 119.9° |
C08 | C07 | C06 | N05 | 175.2° | 62.3° |
C07 | C08 | C09 | H12 | 120.5° | 119.9° |
C07 | C08 | C09 | H13 | 120.5° | 120.0° |
C08 | C07 | C06 | C11 | 58.5° | 57.7° |
C07 | C08 | C09 | N10 | 46.6° | 59.2° |
C08 | C07 | C06 | H9 | 56.9° | 177.6° |
C08 | C07 | H10 | H11 | 119.2° | 120.1° |
C07 | C08 | H12 | H13 | 118.6° | 120.1° |
C07 | C08 | C09 | H14 | 74.2° | 179.2° |
C07 | C08 | C09 | H15 | 167.4° | 60.9° |
C07 | C06 | N05 | C34 | 107.7° | 50.2° |
C07 | C06 | N05 | C11 | 124.2° | 119.8° |
C07 | C06 | N05 | H9 | 118.0° | 120.1° |
C06 | C07 | C08 | C09 | 50.0° | 57.6° |
C07 | C06 | C11 | H9 | 116.0° | 119.9° |
C07 | C06 | C11 | N10 | 63.7° | 59.2° |
C07 | C06 | C11 | H1 | 176.2° | 60.9° |
C07 | C06 | C11 | H2 | 56.3° | 179.2° |
C06 | C07 | H10 | H11 | 119.2° | 120.2° |
C06 | C07 | C08 | H12 | 170.5° | 62.3° |
C06 | C07 | C08 | H13 | 70.4° | 177.6° |
C34 | N05 | C06 | C11 | 128.1° | 170.0° |
C34 | N05 | C04 | H8 | 119.6° | 118.6° |
C34 | N05 | C06 | H9 | 10.3° | 69.9° |
C34 | N05 | C04 | H35 | 119.4° | 118.6° |
C06 | N05 | C34 | O35 | 1.0° | 0.0° |
N05 | C06 | C11 | H9 | 118.5° | 120.1° |
N05 | C06 | C11 | N10 | 170.8° | 60.8° |
N05 | C06 | C11 | H1 | 50.8° | 179.1° |
N05 | C06 | C11 | H2 | 69.2° | 59.2° |
C06 | N05 | C04 | H8 | 60.0° | 61.4° |
N05 | C06 | C07 | H10 | 54.9° | 57.6° |
N05 | C06 | C07 | H11 | 64.5° | 177.8° |
C06 | N05 | C04 | H35 | 61.0° | 61.4° |
C08 | C09 | N10 | C11 | 51.2° | 61.7° |
C08 | C09 | N10 | H14 | 120.8° | 120.1° |
C08 | C09 | N10 | H15 | 120.8° | 120.0° |
C08 | C09 | N10 | C12 | 90.9° | 174.2° |
C09 | C08 | C07 | H10 | 170.3° | 177.6° |
C09 | C08 | C07 | H11 | 70.2° | 62.3° |
C09 | C08 | H12 | H13 | 118.6° | 120.1° |
C08 | C09 | H14 | H15 | 117.6° | 119.9° |
C06 | C11 | N10 | H1 | 120.0° | 120.1° |
C06 | C11 | N10 | H2 | 120.0° | 120.0° |
C06 | C11 | N10 | C09 | 58.6° | 61.8° |
C06 | C11 | N10 | C12 | 85.3° | 174.1° |
C06 | C11 | H1 | H2 | 120.0° | 120.0° |
C11 | C06 | C07 | H10 | 178.8° | 177.6° |
C11 | C06 | C07 | H11 | 61.8° | 62.2° |
C28 | C29 | N30 | H23 | 120.3° | 120.1° |
C28 | C29 | N30 | H24 | 120.4° | 120.0° |
C29 | C28 | C27 | H21 | 121.2° | 120.0° |
C29 | C28 | C27 | H22 | 121.2° | 119.9° |
C28 | C29 | N30 | C31 | 54.2° | 61.7° |
C29 | C28 | C27 | C32 | 45.2° | 57.7° |
C29 | C28 | C27 | C24 | 169.0° | 177.6° |
C29 | C28 | C27 | H20 | 73.2° | 62.3° |
C29 | C28 | H21 | H22 | 116.1° | 120.1° |
C28 | C29 | H23 | H24 | 118.9° | 120.1° |
C28 | C29 | N30 | H32 | 65.8° | 62.4° |
N30 | C29 | C28 | C27 | 50.9° | 59.2° |
C29 | N30 | C31 | H32 | 120.1° | 124.1° |
C29 | N30 | C31 | C32 | 56.9° | 61.7° |
N30 | C29 | C28 | H21 | 172.1° | 60.8° |
N30 | C29 | C28 | H22 | 70.4° | 179.1° |
N30 | C29 | H23 | H24 | 118.9° | 119.9° |
C29 | N30 | C31 | H25 | 177.1° | 58.3° |
C29 | N30 | C31 | H26 | 63.4° | 178.3° |
C11 | N10 | C09 | C12 | 142.2° | 124.1° |
C11 | N10 | C12 | N33 | 3.4° | 179.9° |
C11 | N10 | C12 | C13 | 179.3° | 0.3° |
N10 | C11 | H1 | H2 | 119.9° | 119.9° |
N10 | C11 | C06 | H9 | 52.3° | 179.1° |
C11 | N10 | C09 | H14 | 69.5° | 178.2° |
C11 | N10 | C09 | H15 | 172.0° | 58.3° |
C09 | N10 | C12 | N33 | 143.0° | 55.7° |
C09 | N10 | C12 | C13 | 39.7° | 123.9° |
C09 | N10 | C11 | H1 | 178.7° | 58.3° |
C09 | N10 | C11 | H2 | 61.4° | 178.3° |
N10 | C09 | C08 | H12 | 167.1° | 60.8° |
N10 | C09 | C08 | H13 | 73.8° | 179.1° |
N10 | C09 | H14 | H15 | 117.6° | 119.9° |
C28 | C27 | C32 | C31 | 47.5° | 57.6° |
C28 | C27 | C32 | C24 | 121.0° | 119.9° |
C28 | C27 | C32 | H20 | 118.3° | 120.0° |
C28 | C27 | C24 | H20 | 118.5° | 120.2° |
C28 | C27 | C24 | C23 | 97.0° | 120.4° |
C28 | C27 | C24 | C25 | 81.6° | 59.7° |
C27 | C28 | H21 | H22 | 116.2° | 120.1° |
C27 | C28 | C29 | H23 | 171.2° | 179.2° |
C27 | C28 | C29 | H24 | 69.5° | 60.8° |
C28 | C27 | C32 | H27 | 73.4° | 177.6° |
C28 | C27 | C32 | H28 | 168.5° | 62.3° |
N30 | C31 | C32 | H25 | 120.2° | 120.0° |
N30 | C31 | C32 | H26 | 120.2° | 120.0° |
N30 | C31 | C32 | C27 | 56.4° | 59.1° |
C31 | N30 | C29 | H23 | 174.5° | 178.2° |
C31 | N30 | C29 | H24 | 66.2° | 58.3° |
N30 | C31 | H25 | H26 | 119.3° | 120.0° |
N30 | C31 | C32 | H27 | 64.6° | 179.1° |
N30 | C31 | C32 | H28 | 177.3° | 60.8° |
C31 | C32 | C27 | H27 | 121.0° | 120.0° |
C31 | C32 | C27 | H28 | 121.0° | 119.9° |
C31 | C32 | C27 | C24 | 168.5° | 177.5° |
C31 | C32 | C27 | H20 | 70.8° | 62.3° |
C32 | C31 | H25 | H26 | 119.3° | 120.0° |
C31 | C32 | H27 | H28 | 117.0° | 120.0° |
C32 | C31 | N30 | H32 | 63.2° | 62.4° |
C32 | C27 | C24 | H20 | 121.5° | 120.1° |
C32 | C27 | C24 | C23 | 143.0° | 119.9° |
C32 | C27 | C24 | C25 | 38.4° | 60.0° |
C32 | C27 | C28 | H21 | 166.5° | 62.3° |
C32 | C27 | C28 | H22 | 76.0° | 177.6° |
C27 | C32 | C31 | H25 | 176.6° | 60.9° |
C27 | C32 | C31 | H26 | 63.9° | 179.1° |
C27 | C32 | H27 | H28 | 116.9° | 120.1° |
C27 | C24 | C23 | C25 | 178.6° | 180.0° |
C27 | C24 | C23 | C22 | 179.0° | 180.0° |
C27 | C24 | C25 | C26 | 179.3° | 180.0° |
C27 | C24 | C23 | H17 | 1.0° | 0.0° |
C27 | C24 | C25 | H18 | 0.8° | 0.1° |
C24 | C27 | C28 | H21 | 69.8° | 57.6° |
C24 | C27 | C28 | H22 | 47.8° | 62.5° |
C24 | C27 | C32 | H27 | 47.5° | 62.5° |
C24 | C27 | C32 | H28 | 70.6° | 57.6° |
N10 | C12 | N33 | C13 | 177.3° | 179.6° |
N10 | C12 | N33 | C19 | 178.9° | 179.7° |
N10 | C12 | C13 | N14 | 177.9° | 179.7° |
C12 | N10 | C11 | H1 | 34.7° | 65.8° |
C12 | N10 | C11 | H2 | 154.7° | 54.1° |
N10 | C12 | C13 | H3 | 2.1° | 0.3° |
C12 | N10 | C09 | H14 | 148.3° | 54.1° |
C12 | N10 | C09 | H15 | 29.9° | 65.8° |
C24 | C23 | C22 | H17 | 180.0° | 180.0° |
C24 | C23 | C22 | C21 | 0.2° | 0.0° |
C23 | C24 | C25 | C26 | 0.7° | 0.0° |
C24 | C23 | C22 | H16 | 179.8° | 179.9° |
C23 | C24 | C25 | H18 | 179.4° | 180.0° |
C23 | C24 | C27 | H20 | 21.5° | 0.2° |
C22 | C23 | C24 | C25 | 0.4° | 0.0° |
C23 | C22 | C21 | H16 | 180.0° | 179.9° |
C23 | C22 | C21 | C26 | 0.3° | 0.0° |
C23 | C22 | C21 | N20 | 179.9° | 179.7° |
C24 | C25 | C26 | H18 | 180.0° | 179.9° |
C24 | C25 | C26 | C21 | 0.7° | 0.0° |
C25 | C24 | C23 | H17 | 179.6° | 180.0° |
C24 | C25 | C26 | H19 | 179.2° | 179.7° |
C25 | C24 | C27 | H20 | 159.9° | 179.9° |
C22 | C21 | C26 | C25 | 0.6° | 0.0° |
C22 | C21 | C26 | N20 | 179.6° | 179.7° |
C22 | C21 | N20 | C19 | 1.7° | 34.3° |
C21 | C22 | C23 | H17 | 179.8° | 180.0° |
C22 | C21 | C26 | H19 | 179.4° | 179.7° |
C22 | C21 | N20 | H31 | 178.3° | 145.7° |
N33 | C12 | C13 | N14 | 0.6° | 0.1° |
C12 | N33 | C19 | N20 | 179.8° | 179.9° |
C12 | N33 | C19 | C15 | 1.5° | 0.1° |
N33 | C12 | C13 | H3 | 179.4° | 179.9° |
C13 | C12 | N33 | C19 | 1.6° | 0.1° |
C12 | C13 | N14 | H3 | 180.0° | 180.0° |
C12 | C13 | N14 | C15 | 0.3° | 0.0° |
N33 | C19 | N20 | C21 | 9.0° | 6.6° |
N33 | C19 | N20 | C15 | 178.6° | 180.0° |
N33 | C19 | C15 | N14 | 0.5° | 0.0° |
N33 | C19 | C15 | C16 | 178.9° | 180.0° |
N33 | C19 | N20 | H31 | 171.0° | 173.4° |
C25 | C26 | C21 | H19 | 180.0° | 179.7° |
C25 | C26 | C21 | N20 | 179.8° | 179.8° |
C13 | N14 | C15 | C19 | 0.3° | 0.0° |
C13 | N14 | C15 | C16 | 179.8° | 180.0° |
C26 | C21 | N20 | C19 | 178.0° | 145.4° |
C26 | C21 | C22 | H16 | 179.7° | 180.0° |
C21 | C26 | C25 | H18 | 179.3° | 179.9° |
C26 | C21 | N20 | H31 | 2.0° | 34.6° |
C21 | N20 | C19 | H31 | 180.0° | 180.0° |
C21 | N20 | C19 | C15 | 172.4° | 173.4° |
N20 | C21 | C22 | H16 | 0.1° | 0.3° |
N20 | C21 | C26 | H19 | 0.2° | 0.0° |
N20 | C19 | C15 | N14 | 179.3° | 180.0° |
N20 | C19 | C15 | C16 | 0.1° | 0.0° |
C19 | C15 | N14 | C16 | 179.4° | 180.0° |
C19 | C15 | C16 | O18 | 5.6° | 6.3° |
C19 | C15 | C16 | N17 | 175.9° | 173.8° |
C15 | C19 | N20 | H31 | 7.6° | 6.6° |
N14 | C15 | C16 | O18 | 173.8° | 173.8° |
N14 | C15 | C16 | N17 | 4.7° | 6.2° |
C15 | N14 | C13 | H3 | 179.7° | 179.9° |
C15 | C16 | O18 | N17 | 178.6° | 179.9° |
C15 | C16 | N17 | H29 | 178.4° | 0.1° |
C15 | C16 | N17 | H30 | 1.6° | 180.0° |
O18 | C16 | N17 | H29 | 0.0° | 180.0° |
O18 | C16 | N17 | H30 | 180.0° | 0.1° |
C16 | N17 | H29 | H30 | 180.0° | 179.9° |
H1 | C11 | C06 | H9 | 67.8° | 59.0° |
H2 | C11 | C06 | H9 | 172.3° | 60.9° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H7 | C03 | C04 | H8 | 120.7° | 122.8° |
H7 | C03 | C04 | H35 | 0.2° | 0.0° |
H8 | C04 | C03 | H34 | 0.4° | 0.0° |
H9 | C06 | C07 | H10 | 63.3° | 62.5° |
H9 | C06 | C07 | H11 | 177.2° | 57.7° |
H10 | C07 | C08 | H12 | 69.2° | 57.6° |
H10 | C07 | C08 | H13 | 49.9° | 62.5° |
H11 | C07 | C08 | H12 | 50.2° | 177.8° |
H11 | C07 | C08 | H13 | 169.3° | 57.7° |
H12 | C08 | C09 | H14 | 46.3° | 59.3° |
H12 | C08 | C09 | H15 | 72.1° | 179.2° |
H13 | C08 | C09 | H14 | 165.4° | 60.8° |
H13 | C08 | C09 | H15 | 46.9° | 59.1° |
H16 | C22 | C23 | H17 | 0.2° | 0.0° |
H18 | C25 | C26 | H19 | 0.8° | 0.3° |
H20 | C27 | C28 | H21 | 48.0° | 177.7° |
H20 | C27 | C28 | H22 | 165.6° | 57.7° |
H20 | C27 | C32 | H27 | 168.3° | 57.6° |
H20 | C27 | C32 | H28 | 50.2° | 177.7° |
H21 | C28 | C29 | H23 | 67.6° | 59.3° |
H21 | C28 | C29 | H24 | 51.7° | 179.3° |
H22 | C28 | C29 | H23 | 50.0° | 60.9° |
H22 | C28 | C29 | H24 | 169.3° | 59.1° |
H23 | C29 | N30 | H32 | 54.5° | 57.7° |
H24 | C29 | N30 | H32 | 173.8° | 177.6° |
H25 | C31 | C32 | H27 | 55.6° | 59.1° |
H25 | C31 | C32 | H28 | 62.5° | 179.2° |
H25 | C31 | N30 | H32 | 57.0° | 177.6° |
H26 | C31 | C32 | H27 | 175.2° | 60.9° |
H26 | C31 | C32 | H28 | 57.1° | 59.2° |
H26 | C31 | N30 | H32 | 176.5° | 57.6° |
H34 | C03 | C04 | H35 | 121.3° | 122.8° |