JDH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C26 | sing | 1.53Å | 1.52Å | |
C27 | N21 | sing | 1.47Å | 1.36Å | |
C25 | N24 | sing | 1.47Å | 1.29Å | |
C26 | N24 | sing | 1.47Å | 1.36Å | |
N24 | C23 | sing | 1.47Å | 1.36Å | |
C20 | N21 | sing | 1.47Å | 1.31Å | |
C20 | C19 | sing | 1.51Å | 1.59Å | |
N21 | C22 | sing | 1.47Å | 1.35Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
C16 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
C16 | C15 | sing | 1.51Å | 1.52Å | |
C13 | C12 | doub | 1.34Å | 1.40Å | Aromatic |
C13 | N14 | sing | 1.37Å | 1.34Å | Aromatic |
C12 | C09 | sing | 1.46Å | 1.44Å | Aromatic |
N14 | C15 | sing | 1.47Å | 1.44Å | |
N14 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
C09 | C08 | doub | 1.41Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.43Å | Aromatic |
C10 | C11 | doub | 1.36Å | 1.41Å | Aromatic |
C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
C11 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
C06 | C05 | sing | 1.48Å | 1.55Å | |
N04 | C05 | doub | 1.31Å | 1.35Å | Aromatic |
N04 | N03 | sing | 1.40Å | 1.36Å | Aromatic |
C05 | C30 | sing | 1.47Å | 1.39Å | Aromatic |
C30 | C31 | sing | 1.43Å | 1.50Å | |
C30 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
N03 | C02 | sing | 1.35Å | 1.36Å | Aromatic |
C31 | N32 | trip | 1.14Å | 1.12Å | |
C02 | N01 | sing | 1.38Å | 1.44Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C20 | H7 | sing | 1.09Å | 1.10Å | |
C22 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.09Å | 1.10Å | |
C26 | H10 | sing | 1.09Å | 1.10Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C28 | H12 | sing | 1.08Å | 1.08Å | |
N01 | H13 | sing | 0.97Å | 1.00Å | |
N01 | H14 | sing | 0.97Å | 1.00Å | |
N03 | H15 | sing | 0.97Å | 1.00Å | |
C07 | H16 | sing | 1.08Å | 1.08Å | |
C11 | H17 | sing | 1.08Å | 1.08Å | |
C12 | H18 | sing | 1.08Å | 1.08Å | |
C18 | H19 | sing | 1.08Å | 1.08Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C27 | N21 | 112.6° | 109.3° |
C27 | C26 | N24 | 115.4° | 109.3° |
C27 | C26 | H10 | 108.0° | 109.5° |
C27 | C26 | H11 | 108.0° | 109.6° |
C26 | C27 | H27 | 108.7° | 109.5° |
C26 | C27 | H28 | 108.7° | 109.5° |
C27 | N21 | C20 | 109.9° | 111.0° |
C27 | N21 | C22 | 110.2° | 110.9° |
N21 | C27 | H27 | 108.7° | 109.5° |
N21 | C27 | H28 | 108.7° | 109.5° |
C25 | N24 | C26 | 112.7° | 111.0° |
C25 | N24 | C23 | 112.2° | 111.0° |
N24 | C25 | H24 | 109.5° | 109.4° |
N24 | C25 | H25 | 109.4° | 109.4° |
N24 | C25 | H26 | 109.5° | 109.5° |
C26 | N24 | C23 | 116.2° | 110.9° |
N24 | C26 | H10 | 107.9° | 109.5° |
N24 | C26 | H11 | 108.0° | 109.5° |
N24 | C23 | C22 | 114.3° | 109.4° |
N24 | C23 | H21 | 108.3° | 109.5° |
N24 | C23 | H22 | 108.2° | 109.5° |
N21 | C20 | C19 | 112.4° | 109.5° |
C20 | N21 | C22 | 110.4° | 111.0° |
N21 | C20 | H6 | 108.7° | 109.5° |
N21 | C20 | H7 | 108.7° | 109.5° |
C20 | C19 | C18 | 118.7° | 120.0° |
C20 | C19 | C28 | 122.0° | 120.0° |
C19 | C20 | H6 | 108.7° | 109.4° |
C19 | C20 | H7 | 108.7° | 109.5° |
N21 | C22 | C23 | 112.4° | 109.3° |
N21 | C22 | H8 | 108.7° | 109.5° |
N21 | C22 | H9 | 108.7° | 109.5° |
C23 | C22 | H8 | 108.7° | 109.5° |
C23 | C22 | H9 | 108.8° | 109.5° |
C22 | C23 | H21 | 108.2° | 109.5° |
C22 | C23 | H22 | 108.3° | 109.5° |
C19 | C18 | C17 | 120.8° | 120.0° |
C18 | C19 | C28 | 119.3° | 120.0° |
C19 | C18 | H19 | 119.6° | 120.0° |
C18 | C17 | C16 | 120.1° | 120.0° |
C18 | C17 | H5 | 119.9° | 120.0° |
C17 | C18 | H19 | 119.6° | 120.0° |
C19 | C28 | C29 | 119.8° | 120.0° |
C19 | C28 | H12 | 120.1° | 120.0° |
C17 | C16 | C29 | 119.6° | 120.0° |
C17 | C16 | C15 | 120.8° | 120.0° |
C16 | C17 | H5 | 120.0° | 120.0° |
C28 | C29 | C16 | 120.4° | 120.0° |
C29 | C28 | H12 | 120.1° | 120.0° |
C28 | C29 | H29 | 119.8° | 120.0° |
C29 | C16 | C15 | 119.6° | 120.0° |
C16 | C29 | H29 | 119.8° | 120.0° |
C16 | C15 | N14 | 113.9° | 109.4° |
C16 | C15 | H3 | 108.4° | 109.5° |
C16 | C15 | H4 | 108.4° | 109.5° |
C12 | C13 | N14 | 107.6° | 110.0° |
C13 | C12 | C09 | 108.1° | 107.0° |
C12 | C13 | H2 | 126.2° | 125.0° |
C13 | C12 | H18 | 126.0° | 126.5° |
C13 | N14 | C15 | 125.3° | 125.1° |
C13 | N14 | C08 | 110.3° | 109.9° |
N14 | C13 | H2 | 126.2° | 125.1° |
C12 | C09 | C08 | 104.8° | 106.0° |
C12 | C09 | C10 | 135.6° | 133.9° |
C09 | C12 | H18 | 126.0° | 126.5° |
C15 | N14 | C08 | 124.3° | 125.1° |
N14 | C15 | H3 | 108.4° | 109.4° |
N14 | C15 | H4 | 108.4° | 109.5° |
N14 | C08 | C09 | 109.2° | 107.2° |
N14 | C08 | C07 | 131.1° | 133.3° |
C08 | C09 | C10 | 119.7° | 120.1° |
C09 | C08 | C07 | 119.7° | 119.5° |
C09 | C10 | C11 | 120.7° | 120.0° |
C09 | C10 | H1 | 119.7° | 120.0° |
C08 | C07 | C06 | 120.8° | 119.6° |
C08 | C07 | H16 | 119.6° | 120.2° |
C10 | C11 | C06 | 119.3° | 120.4° |
C11 | C10 | H1 | 119.7° | 120.0° |
C10 | C11 | H17 | 120.4° | 119.8° |
C07 | C06 | C11 | 119.8° | 120.4° |
C07 | C06 | C05 | 116.8° | 119.8° |
C06 | C07 | H16 | 119.6° | 120.2° |
C11 | C06 | C05 | 122.8° | 119.9° |
C06 | C11 | H17 | 120.3° | 119.8° |
C06 | C05 | N04 | 123.3° | 126.4° |
C06 | C05 | C30 | 129.0° | 126.4° |
C05 | N04 | N03 | 110.4° | 109.4° |
N04 | C05 | C30 | 107.0° | 107.1° |
N04 | N03 | C02 | 108.2° | 109.7° |
N04 | N03 | H15 | 125.9° | 125.1° |
C05 | C30 | C31 | 129.7° | 126.9° |
C05 | C30 | C02 | 107.2° | 106.3° |
C31 | C30 | C02 | 123.1° | 126.9° |
C30 | C31 | N32 | 176.8° | 180.0° |
C30 | C02 | N03 | 107.1° | 107.6° |
C30 | C02 | N01 | 126.1° | 126.2° |
N03 | C02 | N01 | 126.8° | 126.2° |
C02 | N03 | H15 | 125.9° | 125.2° |
C02 | N01 | H13 | 109.5° | 120.0° |
C02 | N01 | H14 | 109.5° | 120.0° |
H3 | C15 | H4 | 109.4° | 109.5° |
H6 | C20 | H7 | 109.5° | 109.5° |
H8 | C22 | H9 | 109.5° | 109.5° |
H10 | C26 | H11 | 109.5° | 109.5° |
H13 | N01 | H14 | 109.5° | 120.0° |
H21 | C23 | H22 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.4° | 109.5° |
H24 | C25 | H26 | 109.5° | 109.5° |
H25 | C25 | H26 | 109.5° | 109.5° |
H27 | C27 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C27 | N21 | H27 | 120.5° | 119.9° |
C26 | C27 | N21 | H28 | 120.5° | 120.0° |
C27 | C26 | N24 | C25 | 95.5° | 64.6° |
C27 | C26 | N24 | H10 | 120.9° | 119.9° |
C27 | C26 | N24 | H11 | 120.9° | 120.0° |
C27 | C26 | N24 | C23 | 35.9° | 59.3° |
C26 | C27 | N21 | C20 | 178.0° | 176.8° |
C26 | C27 | N21 | C22 | 56.2° | 59.4° |
C27 | C26 | H10 | H11 | 117.4° | 120.1° |
C26 | C27 | H27 | H28 | 118.6° | 120.1° |
N21 | C27 | C26 | N24 | 45.3° | 58.4° |
C27 | N21 | C20 | C22 | 121.7° | 123.8° |
C27 | N21 | C20 | C19 | 179.5° | 66.1° |
C27 | N21 | C22 | C23 | 58.2° | 59.3° |
C27 | N21 | C20 | H6 | 59.0° | 53.8° |
C27 | N21 | C20 | H7 | 60.1° | 173.8° |
C27 | N21 | C22 | H8 | 62.2° | 60.6° |
C27 | N21 | C22 | H9 | 178.7° | 179.3° |
N21 | C27 | C26 | H10 | 75.5° | 178.3° |
N21 | C27 | C26 | H11 | 166.2° | 61.6° |
N21 | C27 | H27 | H28 | 118.6° | 120.1° |
C25 | N24 | C26 | C23 | 131.4° | 123.9° |
C25 | N24 | C23 | C22 | 94.2° | 64.6° |
C25 | N24 | C26 | H10 | 143.6° | 55.4° |
C25 | N24 | C26 | H11 | 25.4° | 175.4° |
C25 | N24 | C23 | H21 | 145.1° | 55.5° |
C25 | N24 | C23 | H22 | 26.5° | 175.5° |
N24 | C25 | H24 | H25 | 119.9° | 120.0° |
N24 | C25 | H24 | H26 | 120.0° | 120.0° |
N24 | C25 | H25 | H26 | 120.0° | 120.0° |
C26 | N24 | C23 | C22 | 37.5° | 59.3° |
N24 | C26 | H10 | H11 | 117.3° | 120.0° |
C26 | N24 | C23 | H21 | 83.2° | 179.4° |
C26 | N24 | C23 | H22 | 158.1° | 60.6° |
C26 | N24 | C25 | H24 | 180.0° | 60.0° |
C26 | N24 | C25 | H25 | 60.0° | 180.0° |
C26 | N24 | C25 | H26 | 60.0° | 60.0° |
N24 | C26 | C27 | H27 | 75.2° | 61.6° |
N24 | C26 | C27 | H28 | 165.8° | 178.4° |
N24 | C23 | C22 | N21 | 49.1° | 58.4° |
N24 | C23 | C22 | H21 | 120.7° | 120.0° |
N24 | C23 | C22 | H22 | 120.7° | 120.0° |
N24 | C23 | C22 | H8 | 71.4° | 61.6° |
N24 | C23 | C22 | H9 | 169.5° | 178.4° |
C23 | N24 | C26 | H10 | 84.9° | 179.3° |
C23 | N24 | C26 | H11 | 156.8° | 60.7° |
N24 | C23 | H21 | H22 | 117.8° | 120.0° |
C23 | N24 | C25 | H24 | 46.6° | 63.8° |
C23 | N24 | C25 | H25 | 166.6° | 56.2° |
C23 | N24 | C25 | H26 | 73.4° | 176.2° |
N21 | C20 | C19 | H6 | 120.4° | 119.9° |
N21 | C20 | C19 | H7 | 120.4° | 120.0° |
C20 | N21 | C22 | C23 | 179.8° | 176.8° |
N21 | C20 | C19 | C18 | 136.8° | 90.0° |
N21 | C20 | C19 | C28 | 44.0° | 89.9° |
N21 | C20 | H6 | H7 | 118.7° | 120.0° |
C20 | N21 | C22 | H8 | 59.3° | 63.2° |
C20 | N21 | C22 | H9 | 59.8° | 56.9° |
C20 | N21 | C27 | H27 | 57.6° | 63.2° |
C20 | N21 | C27 | H28 | 61.5° | 56.8° |
C19 | C20 | N21 | C22 | 57.8° | 170.0° |
C20 | C19 | C18 | C28 | 179.2° | 179.9° |
C20 | C19 | C18 | C17 | 180.0° | 180.0° |
C20 | C19 | C28 | C29 | 179.8° | 179.7° |
C19 | C20 | H6 | H7 | 118.6° | 120.0° |
C20 | C19 | C28 | H12 | 0.2° | 0.2° |
C20 | C19 | C18 | H19 | 0.0° | 0.1° |
N21 | C22 | C23 | H8 | 120.4° | 120.0° |
N21 | C22 | C23 | H9 | 120.4° | 120.0° |
C22 | N21 | C20 | H6 | 62.7° | 70.0° |
C22 | N21 | C20 | H7 | 178.2° | 50.0° |
N21 | C22 | H8 | H9 | 118.6° | 120.1° |
N21 | C22 | C23 | H21 | 71.6° | 178.4° |
N21 | C22 | C23 | H22 | 169.8° | 61.6° |
C22 | N21 | C27 | H27 | 64.3° | 60.6° |
C22 | N21 | C27 | H28 | 176.7° | 179.3° |
C23 | C22 | H8 | H9 | 118.7° | 120.0° |
C22 | C23 | H21 | H22 | 117.8° | 120.0° |
C19 | C18 | C17 | H19 | 180.0° | 179.9° |
C19 | C18 | C17 | C16 | 0.8° | 0.0° |
C18 | C19 | C28 | C29 | 0.7° | 0.2° |
C19 | C18 | C17 | H5 | 179.2° | 179.6° |
C18 | C19 | C20 | H6 | 16.4° | 150.0° |
C18 | C19 | C20 | H7 | 102.7° | 30.0° |
C18 | C19 | C28 | H12 | 179.3° | 179.7° |
C17 | C18 | C19 | C28 | 0.9° | 0.1° |
C18 | C17 | C16 | H5 | 180.0° | 179.7° |
C18 | C17 | C16 | C29 | 0.5° | 0.3° |
C18 | C17 | C16 | C15 | 178.9° | 179.8° |
C19 | C28 | C29 | H12 | 180.0° | 179.5° |
C19 | C28 | C29 | C16 | 0.4° | 0.5° |
C28 | C19 | C20 | H6 | 164.5° | 30.0° |
C28 | C19 | C20 | H7 | 76.4° | 150.1° |
C28 | C19 | C18 | H19 | 179.1° | 180.0° |
C19 | C28 | C29 | H29 | 179.6° | 180.0° |
C17 | C16 | C29 | C28 | 0.3° | 0.6° |
C17 | C16 | C29 | C15 | 179.4° | 179.9° |
C17 | C16 | C15 | N14 | 23.6° | 90.0° |
C17 | C16 | C15 | H3 | 97.1° | 29.9° |
C17 | C16 | C15 | H4 | 144.3° | 150.0° |
C16 | C17 | C18 | H19 | 179.2° | 179.9° |
C17 | C16 | C29 | H29 | 179.7° | 179.9° |
C28 | C29 | C16 | H29 | 180.0° | 179.5° |
C28 | C29 | C16 | C15 | 179.1° | 179.5° |
C29 | C16 | C15 | N14 | 157.0° | 90.1° |
C29 | C16 | C15 | H3 | 82.3° | 150.0° |
C29 | C16 | C15 | H4 | 36.3° | 29.9° |
C29 | C16 | C17 | H5 | 179.5° | 180.0° |
C16 | C29 | C28 | H12 | 179.6° | 180.0° |
C16 | C15 | N14 | C13 | 94.9° | 95.0° |
C16 | C15 | N14 | H3 | 120.7° | 120.0° |
C16 | C15 | N14 | H4 | 120.7° | 120.0° |
C16 | C15 | N14 | C08 | 84.9° | 85.0° |
C16 | C15 | H3 | H4 | 118.0° | 120.0° |
C15 | C16 | C17 | H5 | 1.1° | 0.1° |
C15 | C16 | C29 | H29 | 0.9° | 0.0° |
C12 | C13 | N14 | H2 | 180.0° | 179.9° |
C13 | C12 | C09 | H18 | 180.0° | 180.0° |
C12 | C13 | N14 | C15 | 180.0° | 180.0° |
C12 | C13 | N14 | C08 | 0.2° | 0.0° |
C13 | C12 | C09 | C08 | 0.0° | 0.0° |
C13 | C12 | C09 | C10 | 179.6° | 180.0° |
N14 | C13 | C12 | C09 | 0.2° | 0.0° |
C13 | N14 | C15 | C08 | 179.8° | 180.0° |
C13 | N14 | C08 | C09 | 0.2° | 0.0° |
C13 | N14 | C08 | C07 | 179.8° | 179.4° |
C13 | N14 | C15 | H3 | 25.8° | 25.0° |
C13 | N14 | C15 | H4 | 144.4° | 145.0° |
N14 | C13 | C12 | H18 | 179.8° | 180.0° |
C12 | C09 | C08 | N14 | 0.1° | 0.0° |
C12 | C09 | C08 | C10 | 179.6° | 180.0° |
C12 | C09 | C08 | C07 | 179.7° | 179.5° |
C12 | C09 | C10 | C11 | 179.4° | 180.0° |
C12 | C09 | C10 | H1 | 0.6° | 0.3° |
C09 | C12 | C13 | H2 | 179.8° | 179.9° |
C15 | N14 | C08 | C09 | 180.0° | 180.0° |
C15 | N14 | C08 | C07 | 0.4° | 0.7° |
C15 | N14 | C13 | H2 | 0.1° | 0.1° |
N14 | C15 | H3 | H4 | 118.0° | 120.0° |
N14 | C08 | C09 | C07 | 179.6° | 179.5° |
N14 | C08 | C09 | C10 | 179.5° | 180.0° |
N14 | C08 | C07 | C06 | 177.4° | 180.0° |
C08 | N14 | C13 | H2 | 179.7° | 179.9° |
C08 | N14 | C15 | H3 | 154.4° | 155.0° |
C08 | N14 | C15 | H4 | 35.8° | 35.0° |
N14 | C08 | C07 | H16 | 2.5° | 0.5° |
C08 | C09 | C10 | C11 | 0.1° | 0.0° |
C09 | C08 | C07 | C06 | 2.1° | 0.7° |
C08 | C09 | C10 | H1 | 179.9° | 179.7° |
C09 | C08 | C07 | H16 | 178.0° | 179.8° |
C08 | C09 | C12 | H18 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.1° | 0.5° |
C09 | C10 | C11 | H1 | 180.0° | 179.7° |
C09 | C10 | C11 | C06 | 1.6° | 0.3° |
C09 | C10 | C11 | H17 | 178.4° | 179.8° |
C10 | C09 | C12 | H18 | 0.5° | 0.0° |
C08 | C07 | C06 | H16 | 180.0° | 179.5° |
C08 | C07 | C06 | C11 | 3.8° | 0.5° |
C08 | C07 | C06 | C05 | 175.2° | 179.5° |
C10 | C11 | C06 | C07 | 3.5° | 0.1° |
C10 | C11 | C06 | H17 | 180.0° | 179.9° |
C10 | C11 | C06 | C05 | 174.5° | 180.0° |
C07 | C06 | C11 | C05 | 170.9° | 180.0° |
C07 | C06 | C05 | N04 | 0.6° | 35.1° |
C07 | C06 | C05 | C30 | 168.9° | 145.3° |
C07 | C06 | C11 | H17 | 176.5° | 180.0° |
C11 | C06 | C05 | N04 | 171.8° | 145.0° |
C11 | C06 | C05 | C30 | 2.3° | 34.7° |
C06 | C11 | C10 | H1 | 178.4° | 180.0° |
C11 | C06 | C07 | H16 | 176.2° | 179.9° |
C06 | C05 | N04 | C30 | 171.5° | 179.7° |
C06 | C05 | N04 | N03 | 175.0° | 180.0° |
C06 | C05 | C30 | C31 | 8.9° | 0.2° |
C06 | C05 | C30 | C02 | 173.9° | 179.9° |
C05 | C06 | C07 | H16 | 4.8° | 0.0° |
C05 | C06 | C11 | H17 | 5.6° | 0.0° |
N04 | C05 | C30 | C31 | 179.7° | 180.0° |
N04 | C05 | C30 | C02 | 3.0° | 0.4° |
C05 | N04 | N03 | C02 | 2.6° | 0.0° |
C05 | N04 | N03 | H15 | 177.4° | 180.0° |
N03 | N04 | C05 | C30 | 3.5° | 0.2° |
N04 | N03 | C02 | C30 | 0.6° | 0.3° |
N04 | N03 | C02 | H15 | 180.0° | 180.0° |
N04 | N03 | C02 | N01 | 179.6° | 180.0° |
C05 | C30 | C31 | C02 | 176.9° | 179.6° |
C05 | C30 | C02 | N03 | 1.5° | 0.4° |
C05 | C30 | C31 | N32 | 177.2° | 132.6° |
C05 | C30 | C02 | N01 | 177.5° | 179.9° |
C31 | C30 | C02 | N03 | 179.0° | 180.0° |
C31 | C30 | C02 | N01 | 0.0° | 0.2° |
C30 | C02 | N03 | N01 | 179.0° | 179.7° |
C02 | C30 | C31 | N32 | 0.3° | 47.0° |
C30 | C02 | N01 | H13 | 180.0° | 179.7° |
C30 | C02 | N01 | H14 | 60.0° | 0.3° |
C30 | C02 | N03 | H15 | 179.4° | 179.7° |
N03 | C02 | N01 | H13 | 1.2° | 0.0° |
N03 | C02 | N01 | H14 | 121.2° | 180.0° |
C02 | N01 | H13 | H14 | 120.0° | 180.0° |
N01 | C02 | N03 | H15 | 0.4° | 0.0° |
H1 | C10 | C11 | H17 | 1.6° | 0.0° |
H2 | C13 | C12 | H18 | 0.2° | 0.1° |
H5 | C17 | C18 | H19 | 0.7° | 0.3° |
H8 | C22 | C23 | H21 | 167.9° | 58.4° |
H8 | C22 | C23 | H22 | 49.3° | 178.4° |
H9 | C22 | C23 | H21 | 48.8° | 61.6° |
H9 | C22 | C23 | H22 | 69.8° | 58.4° |
H10 | C26 | C27 | H27 | 164.0° | 58.3° |
H10 | C26 | C27 | H28 | 45.0° | 61.7° |
H11 | C26 | C27 | H27 | 45.7° | 178.5° |
H11 | C26 | C27 | H28 | 73.4° | 58.4° |
H12 | C28 | C29 | H29 | 0.4° | 0.5° |
H24 | C25 | H25 | H26 | 120.0° | 120.0° |