JK0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | N23 | sing | 1.32Å | 1.34Å | Aromatic |
C20 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
O09 | C05 | doub | 1.21Å | 1.18Å | |
N23 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
C11 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C03 | sing | 1.51Å | 1.53Å | |
C05 | C06 | sing | 1.51Å | 1.54Å | |
C05 | N04 | sing | 1.35Å | 1.50Å | |
C07 | O08 | sing | 1.43Å | 1.40Å | |
C07 | C06 | sing | 1.53Å | 1.55Å | |
C03 | N04 | sing | 1.47Å | 1.48Å | |
C03 | C02 | sing | 1.51Å | 1.55Å | |
N04 | C10 | sing | 1.40Å | 1.52Å | |
C02 | N01 | sing | 1.35Å | 1.49Å | |
C02 | O12 | doub | 1.21Å | 1.20Å | |
C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
N01 | C13 | sing | 1.46Å | 1.47Å | |
C10 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
C10 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.51Å | 1.55Å | |
C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
C27 | C30 | sing | 1.51Å | 1.56Å | |
C30 | C33 | sing | 1.53Å | 1.54Å | |
C30 | C31 | sing | 1.53Å | 1.54Å | |
C30 | C32 | sing | 1.53Å | 1.53Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C17 | H4 | sing | 1.08Å | 1.08Å | |
C20 | H5 | sing | 1.08Å | 1.08Å | |
C21 | H6 | sing | 1.08Å | 1.08Å | |
C22 | H7 | sing | 1.08Å | 1.08Å | |
C24 | H8 | sing | 1.08Å | 1.08Å | |
C26 | H9 | sing | 1.08Å | 1.08Å | |
C28 | H10 | sing | 1.08Å | 1.08Å | |
C03 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.09Å | 1.10Å | |
C06 | H13 | sing | 1.09Å | 1.10Å | |
C07 | H14 | sing | 1.09Å | 1.10Å | |
C07 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C18 | H17 | sing | 1.08Å | 1.08Å | |
C19 | H18 | sing | 1.08Å | 1.08Å | |
C25 | H19 | sing | 1.08Å | 1.08Å | |
C29 | H20 | sing | 1.08Å | 1.08Å | |
C31 | H21 | sing | 1.09Å | 1.10Å | |
C31 | H22 | sing | 1.09Å | 1.10Å | |
C31 | H23 | sing | 1.09Å | 1.10Å | |
C32 | H24 | sing | 1.09Å | 1.10Å | |
C32 | H25 | sing | 1.09Å | 1.10Å | |
C32 | H26 | sing | 1.09Å | 1.10Å | |
C33 | H27 | sing | 1.09Å | 1.10Å | |
C33 | H28 | sing | 1.09Å | 1.10Å | |
C33 | H29 | sing | 1.09Å | 1.10Å | |
N01 | H30 | sing | 0.97Å | 1.00Å | |
O08 | H31 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C22 | C21 | C20 | 119.4° | 119.1° |
C21 | C22 | N23 | 122.3° | 120.8° |
C22 | C21 | H6 | 120.3° | 120.4° |
C21 | C22 | H7 | 118.9° | 119.6° |
C21 | C20 | C11 | 118.1° | 118.5° |
C21 | C20 | H5 | 120.9° | 120.8° |
C20 | C21 | H6 | 120.3° | 120.5° |
C22 | N23 | C24 | 119.3° | 121.7° |
N23 | C22 | H7 | 118.8° | 119.6° |
C20 | C11 | C24 | 118.4° | 119.1° |
C20 | C11 | C03 | 120.6° | 120.5° |
C11 | C20 | H5 | 121.0° | 120.8° |
O09 | C05 | C06 | 116.9° | 120.0° |
O09 | C05 | N04 | 119.8° | 120.0° |
N23 | C24 | C11 | 122.5° | 120.7° |
N23 | C24 | H8 | 118.8° | 119.7° |
C24 | C11 | C03 | 121.0° | 120.4° |
C11 | C24 | H8 | 118.7° | 119.6° |
C11 | C03 | N04 | 110.5° | 109.5° |
C11 | C03 | C02 | 105.5° | 109.5° |
C11 | C03 | H11 | 111.0° | 109.5° |
C06 | C05 | N04 | 123.0° | 120.0° |
C05 | C06 | C07 | 112.9° | 109.5° |
C05 | C06 | H12 | 108.6° | 109.5° |
C05 | C06 | H13 | 108.6° | 109.5° |
C05 | N04 | C03 | 120.6° | 120.0° |
C05 | N04 | C10 | 125.2° | 120.0° |
O08 | C07 | C06 | 106.4° | 109.5° |
O08 | C07 | H14 | 110.2° | 109.4° |
O08 | C07 | H15 | 110.2° | 109.5° |
C07 | O08 | H31 | 109.5° | 114.0° |
C07 | C06 | H12 | 108.6° | 109.5° |
C07 | C06 | H13 | 108.6° | 109.4° |
C06 | C07 | H14 | 110.2° | 109.5° |
C06 | C07 | H15 | 110.2° | 109.5° |
N04 | C03 | C02 | 106.8° | 109.5° |
C03 | N04 | C10 | 114.2° | 120.0° |
N04 | C03 | H11 | 111.9° | 109.4° |
C03 | C02 | N01 | 121.9° | 120.0° |
C03 | C02 | O12 | 119.6° | 120.0° |
C02 | C03 | H11 | 110.8° | 109.5° |
N04 | C10 | C29 | 118.5° | 120.1° |
N04 | C10 | C25 | 122.7° | 120.0° |
N01 | C02 | O12 | 118.5° | 120.0° |
C02 | N01 | C13 | 120.6° | 120.0° |
C02 | N01 | H30 | 119.7° | 120.0° |
C15 | C16 | C17 | 120.4° | 120.0° |
C16 | C15 | C14 | 119.5° | 120.0° |
C16 | C15 | H3 | 120.3° | 120.0° |
C15 | C16 | H16 | 119.8° | 120.0° |
C16 | C17 | C18 | 120.4° | 120.0° |
C16 | C17 | H4 | 119.8° | 120.0° |
C17 | C16 | H16 | 119.8° | 120.0° |
C15 | C14 | C13 | 121.6° | 120.1° |
C15 | C14 | C19 | 119.9° | 120.0° |
C14 | C15 | H3 | 120.3° | 120.0° |
N01 | C13 | C14 | 115.8° | 109.4° |
N01 | C13 | H1 | 107.9° | 109.5° |
N01 | C13 | H2 | 107.8° | 109.5° |
C13 | N01 | H30 | 119.7° | 120.0° |
C29 | C10 | C25 | 118.8° | 119.9° |
C10 | C29 | C28 | 120.9° | 120.0° |
C10 | C29 | H20 | 119.6° | 120.0° |
C10 | C25 | C26 | 120.2° | 119.9° |
C10 | C25 | H19 | 119.9° | 120.1° |
C17 | C18 | C19 | 119.3° | 120.0° |
C18 | C17 | H4 | 119.8° | 120.0° |
C17 | C18 | H17 | 120.3° | 120.0° |
C29 | C28 | C27 | 119.9° | 120.0° |
C29 | C28 | H10 | 120.0° | 120.0° |
C28 | C29 | H20 | 119.6° | 120.0° |
C13 | C14 | C19 | 118.5° | 119.9° |
C14 | C13 | H1 | 107.9° | 109.5° |
C14 | C13 | H2 | 107.9° | 109.4° |
C14 | C19 | C18 | 120.5° | 119.9° |
C14 | C19 | H18 | 119.7° | 120.0° |
C25 | C26 | C27 | 120.3° | 120.0° |
C25 | C26 | H9 | 119.8° | 120.0° |
C26 | C25 | H19 | 119.9° | 120.0° |
C19 | C18 | H17 | 120.4° | 120.0° |
C18 | C19 | H18 | 119.7° | 120.0° |
C28 | C27 | C26 | 119.8° | 120.2° |
C28 | C27 | C30 | 119.5° | 119.9° |
C27 | C28 | H10 | 120.1° | 120.0° |
C26 | C27 | C30 | 120.7° | 119.9° |
C27 | C26 | H9 | 119.9° | 120.0° |
C27 | C30 | C33 | 111.1° | 109.5° |
C27 | C30 | C31 | 106.9° | 109.4° |
C27 | C30 | C32 | 110.5° | 109.4° |
C33 | C30 | C31 | 110.3° | 109.5° |
C33 | C30 | C32 | 108.5° | 109.5° |
C30 | C33 | H27 | 109.5° | 109.5° |
C30 | C33 | H28 | 109.5° | 109.5° |
C30 | C33 | H29 | 109.4° | 109.5° |
C31 | C30 | C32 | 109.6° | 109.5° |
C30 | C31 | H21 | 109.5° | 109.5° |
C30 | C31 | H22 | 109.5° | 109.5° |
C30 | C31 | H23 | 109.5° | 109.5° |
C30 | C32 | H24 | 109.5° | 109.5° |
C30 | C32 | H25 | 109.5° | 109.4° |
C30 | C32 | H26 | 109.5° | 109.5° |
H1 | C13 | H2 | 109.5° | 109.5° |
H12 | C06 | H13 | 109.5° | 109.5° |
H14 | C07 | H15 | 109.5° | 109.5° |
H21 | C31 | H22 | 109.5° | 109.5° |
H21 | C31 | H23 | 109.4° | 109.4° |
H22 | C31 | H23 | 109.5° | 109.4° |
H24 | C32 | H25 | 109.4° | 109.4° |
H24 | C32 | H26 | 109.5° | 109.5° |
H25 | C32 | H26 | 109.5° | 109.4° |
H27 | C33 | H28 | 109.5° | 109.5° |
H27 | C33 | H29 | 109.5° | 109.4° |
H28 | C33 | H29 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C22 | C21 | C20 | H6 | 180.0° | 179.9° |
C21 | C22 | N23 | H7 | 180.0° | 179.9° |
C22 | C21 | C20 | C11 | 0.3° | 0.0° |
C21 | C22 | N23 | C24 | 0.4° | 0.2° |
C22 | C21 | C20 | H5 | 179.7° | 179.7° |
C20 | C21 | C22 | N23 | 0.4° | 0.1° |
C21 | C20 | C11 | H5 | 180.0° | 179.8° |
C21 | C20 | C11 | C24 | 0.3° | 0.2° |
C21 | C20 | C11 | C03 | 180.0° | 179.7° |
C20 | C21 | C22 | H7 | 179.6° | 180.0° |
C22 | N23 | C24 | C11 | 0.4° | 0.5° |
N23 | C22 | C21 | H6 | 179.7° | 180.0° |
C22 | N23 | C24 | H8 | 179.6° | 180.0° |
C20 | C11 | C24 | N23 | 0.4° | 0.5° |
C20 | C11 | C24 | C03 | 179.7° | 180.0° |
C20 | C11 | C03 | N04 | 146.4° | 124.5° |
C20 | C11 | C03 | C02 | 98.5° | 115.5° |
C11 | C20 | C21 | H6 | 179.7° | 180.0° |
C20 | C11 | C24 | H8 | 179.6° | 180.0° |
C20 | C11 | C03 | H11 | 21.7° | 4.5° |
O09 | C05 | C06 | N04 | 173.5° | 179.9° |
O09 | C05 | C06 | C07 | 78.8° | 4.7° |
O09 | C05 | N04 | C03 | 1.6° | 5.1° |
O09 | C05 | N04 | C10 | 179.0° | 174.9° |
O09 | C05 | C06 | H12 | 41.7° | 115.3° |
O09 | C05 | C06 | H13 | 160.6° | 124.6° |
N23 | C24 | C11 | H8 | 180.0° | 179.5° |
N23 | C24 | C11 | C03 | 179.9° | 179.5° |
C24 | N23 | C22 | H7 | 179.6° | 179.8° |
C24 | C11 | C03 | N04 | 33.8° | 55.6° |
C24 | C11 | C03 | C02 | 81.2° | 64.5° |
C24 | C11 | C20 | H5 | 179.7° | 180.0° |
C24 | C11 | C03 | H11 | 158.6° | 175.5° |
C11 | C03 | N04 | C05 | 49.4° | 174.3° |
C11 | C03 | N04 | C02 | 114.3° | 120.1° |
C11 | C03 | N04 | H11 | 124.3° | 120.0° |
C11 | C03 | C02 | H11 | 120.3° | 120.0° |
C11 | C03 | N04 | C10 | 131.2° | 5.7° |
C11 | C03 | C02 | N01 | 140.8° | 59.9° |
C11 | C03 | C02 | O12 | 40.7° | 120.0° |
C03 | C11 | C20 | H5 | 0.0° | 0.0° |
C03 | C11 | C24 | H8 | 0.1° | 0.0° |
C05 | C06 | C07 | O08 | 59.2° | 180.0° |
C05 | C06 | C07 | H12 | 120.5° | 120.0° |
C05 | C06 | C07 | H13 | 120.5° | 120.0° |
C06 | C05 | N04 | C03 | 174.9° | 175.0° |
C06 | C05 | N04 | C10 | 5.7° | 5.0° |
C05 | C06 | H12 | H13 | 118.4° | 120.0° |
C05 | C06 | C07 | H14 | 178.8° | 60.0° |
C05 | C06 | C07 | H15 | 60.3° | 60.0° |
N04 | C05 | C06 | C07 | 107.7° | 175.4° |
C05 | N04 | C03 | C10 | 179.4° | 180.0° |
C05 | N04 | C03 | C02 | 163.7° | 65.6° |
C05 | N04 | C10 | C29 | 105.3° | 110.5° |
C05 | N04 | C10 | C25 | 77.5° | 69.2° |
C05 | N04 | C03 | H11 | 74.9° | 54.3° |
N04 | C05 | C06 | H12 | 131.8° | 64.6° |
N04 | C05 | C06 | H13 | 12.8° | 55.5° |
O08 | C07 | C06 | H14 | 119.5° | 120.0° |
O08 | C07 | C06 | H15 | 119.5° | 120.0° |
O08 | C07 | C06 | H12 | 179.8° | 60.0° |
O08 | C07 | C06 | H13 | 61.3° | 60.0° |
O08 | C07 | H14 | H15 | 121.4° | 120.0° |
C07 | C06 | H12 | H13 | 118.4° | 120.0° |
C06 | C07 | H14 | H15 | 121.4° | 120.0° |
C06 | C07 | O08 | H31 | 180.0° | 180.0° |
N04 | C03 | C02 | H11 | 122.1° | 119.9° |
N04 | C03 | C02 | N01 | 101.6° | 180.0° |
N04 | C03 | C02 | O12 | 76.9° | 0.1° |
C03 | N04 | C10 | C29 | 74.0° | 69.5° |
C03 | N04 | C10 | C25 | 103.1° | 110.8° |
C02 | C03 | N04 | C10 | 16.9° | 114.3° |
C03 | C02 | N01 | O12 | 178.5° | 179.9° |
C03 | C02 | N01 | C13 | 178.0° | 180.0° |
C03 | C02 | N01 | H30 | 2.1° | 0.1° |
N04 | C10 | C29 | C25 | 177.3° | 179.7° |
N04 | C10 | C29 | C28 | 177.5° | 179.7° |
N04 | C10 | C25 | C26 | 178.1° | 179.7° |
C10 | N04 | C03 | H11 | 104.5° | 125.7° |
N04 | C10 | C25 | H19 | 1.9° | 0.3° |
N04 | C10 | C29 | H20 | 2.5° | 0.3° |
C02 | N01 | C13 | H30 | 180.0° | 180.0° |
C02 | N01 | C13 | C14 | 69.6° | 179.9° |
C02 | N01 | C13 | H1 | 169.5° | 60.1° |
C02 | N01 | C13 | H2 | 51.3° | 60.0° |
N01 | C02 | C03 | H11 | 20.5° | 60.1° |
O12 | C02 | N01 | C13 | 0.5° | 0.1° |
O12 | C02 | C03 | H11 | 161.0° | 120.0° |
O12 | C02 | N01 | H30 | 179.4° | 179.9° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C16 | C15 | C14 | H3 | 180.0° | 179.8° |
C15 | C16 | C17 | C18 | 0.2° | 0.6° |
C16 | C15 | C14 | C13 | 179.9° | 179.8° |
C16 | C15 | C14 | C19 | 0.2° | 0.2° |
C15 | C16 | C17 | H4 | 179.8° | 179.8° |
C17 | C16 | C15 | C14 | 0.0° | 0.1° |
C16 | C17 | C18 | H4 | 180.0° | 179.1° |
C16 | C17 | C18 | C19 | 0.3° | 0.9° |
C17 | C16 | C15 | H3 | 179.9° | 179.7° |
C16 | C17 | C18 | H17 | 179.7° | 179.2° |
C15 | C14 | C13 | N01 | 3.4° | 90.0° |
C15 | C14 | C13 | C19 | 179.7° | 180.0° |
C15 | C14 | C19 | C18 | 0.2° | 0.0° |
C15 | C14 | C13 | H1 | 124.3° | 150.0° |
C15 | C14 | C13 | H2 | 117.5° | 30.0° |
C14 | C15 | C16 | H16 | 179.9° | 180.0° |
C15 | C14 | C19 | H18 | 179.8° | 179.9° |
N01 | C13 | C14 | H1 | 120.9° | 120.0° |
N01 | C13 | C14 | H2 | 120.9° | 120.0° |
N01 | C13 | C14 | C19 | 176.3° | 90.0° |
N01 | C13 | H1 | H2 | 117.1° | 120.0° |
C10 | C29 | C28 | H20 | 180.0° | 180.0° |
C29 | C10 | C25 | C26 | 1.0° | 0.0° |
C10 | C29 | C28 | C27 | 0.8° | 0.0° |
C10 | C29 | C28 | H10 | 179.2° | 180.0° |
C29 | C10 | C25 | H19 | 179.0° | 180.0° |
C25 | C10 | C29 | C28 | 0.3° | 0.0° |
C10 | C25 | C26 | H19 | 180.0° | 180.0° |
C10 | C25 | C26 | C27 | 0.6° | 0.0° |
C10 | C25 | C26 | H9 | 179.4° | 180.0° |
C25 | C10 | C29 | H20 | 179.7° | 180.0° |
C17 | C18 | C19 | C14 | 0.1° | 0.6° |
C17 | C18 | C19 | H17 | 180.0° | 179.9° |
C18 | C17 | C16 | H16 | 179.8° | 179.5° |
C17 | C18 | C19 | H18 | 179.9° | 179.5° |
C29 | C28 | C27 | H10 | 180.0° | 180.0° |
C29 | C28 | C27 | C26 | 1.2° | 0.0° |
C29 | C28 | C27 | C30 | 179.9° | 180.0° |
C13 | C14 | C19 | C18 | 179.9° | 180.0° |
C14 | C13 | H1 | H2 | 117.1° | 120.0° |
C13 | C14 | C15 | H3 | 0.0° | 0.0° |
C13 | C14 | C19 | H18 | 0.1° | 0.0° |
C14 | C13 | N01 | H30 | 110.4° | 0.1° |
C14 | C19 | C18 | H18 | 180.0° | 179.9° |
C19 | C14 | C13 | H1 | 55.4° | 30.0° |
C19 | C14 | C13 | H2 | 62.8° | 150.0° |
C19 | C14 | C15 | H3 | 179.7° | 180.0° |
C14 | C19 | C18 | H17 | 179.9° | 179.5° |
C25 | C26 | C27 | C28 | 0.5° | 0.0° |
C25 | C26 | C27 | H9 | 180.0° | 180.0° |
C25 | C26 | C27 | C30 | 179.4° | 180.0° |
C19 | C18 | C17 | H4 | 179.7° | 180.0° |
C28 | C27 | C26 | C30 | 178.9° | 180.0° |
C28 | C27 | C30 | C33 | 52.8° | 120.0° |
C28 | C27 | C30 | C31 | 67.6° | 0.0° |
C28 | C27 | C30 | C32 | 173.2° | 120.0° |
C28 | C27 | C26 | H9 | 179.5° | 180.0° |
C27 | C28 | C29 | H20 | 179.2° | 180.0° |
C26 | C27 | C30 | C33 | 128.4° | 60.0° |
C26 | C27 | C30 | C31 | 111.3° | 180.0° |
C26 | C27 | C30 | C32 | 7.9° | 60.1° |
C26 | C27 | C28 | H10 | 178.8° | 180.0° |
C27 | C26 | C25 | H19 | 179.4° | 180.0° |
C27 | C30 | C33 | C31 | 118.3° | 120.0° |
C27 | C30 | C33 | C32 | 121.6° | 120.0° |
C27 | C30 | C31 | C32 | 119.7° | 119.9° |
C30 | C27 | C26 | H9 | 0.6° | 0.0° |
C30 | C27 | C28 | H10 | 0.1° | 0.0° |
C27 | C30 | C31 | H21 | 180.0° | 60.0° |
C27 | C30 | C31 | H22 | 60.0° | 180.0° |
C27 | C30 | C31 | H23 | 60.0° | 60.0° |
C27 | C30 | C32 | H24 | 180.0° | 60.1° |
C27 | C30 | C32 | H25 | 60.0° | 180.0° |
C27 | C30 | C32 | H26 | 60.0° | 60.0° |
C27 | C30 | C33 | H27 | 180.0° | 60.0° |
C27 | C30 | C33 | H28 | 60.0° | 180.0° |
C27 | C30 | C33 | H29 | 60.0° | 60.0° |
C33 | C30 | C31 | C32 | 119.4° | 120.1° |
C33 | C30 | C31 | H21 | 59.1° | 180.0° |
C33 | C30 | C31 | H22 | 179.1° | 60.0° |
C33 | C30 | C31 | H23 | 60.9° | 60.0° |
C33 | C30 | C32 | H24 | 58.0° | 59.9° |
C33 | C30 | C32 | H25 | 62.0° | 60.0° |
C33 | C30 | C32 | H26 | 178.0° | 180.0° |
C30 | C33 | H27 | H28 | 120.0° | 120.1° |
C30 | C33 | H27 | H29 | 120.0° | 120.0° |
C30 | C33 | H28 | H29 | 120.0° | 120.0° |
C30 | C31 | H21 | H22 | 120.0° | 120.1° |
C30 | C31 | H21 | H23 | 120.0° | 120.0° |
C30 | C31 | H22 | H23 | 120.0° | 120.0° |
C31 | C30 | C32 | H24 | 62.5° | 180.0° |
C31 | C30 | C32 | H25 | 177.5° | 60.0° |
C31 | C30 | C32 | H26 | 57.5° | 59.9° |
C31 | C30 | C33 | H27 | 61.7° | 60.0° |
C31 | C30 | C33 | H28 | 58.3° | 60.0° |
C31 | C30 | C33 | H29 | 178.3° | 180.0° |
C32 | C30 | C31 | H21 | 60.3° | 60.0° |
C32 | C30 | C31 | H22 | 59.7° | 60.1° |
C32 | C30 | C31 | H23 | 179.7° | 180.0° |
C30 | C32 | H24 | H25 | 120.0° | 119.9° |
C30 | C32 | H24 | H26 | 120.0° | 120.1° |
C30 | C32 | H25 | H26 | 120.0° | 120.1° |
C32 | C30 | C33 | H27 | 58.4° | 180.0° |
C32 | C30 | C33 | H28 | 178.4° | 60.0° |
C32 | C30 | C33 | H29 | 61.6° | 60.0° |
H1 | C13 | N01 | H30 | 10.6° | 120.0° |
H2 | C13 | N01 | H30 | 128.7° | 120.0° |
H3 | C15 | C16 | H16 | 0.1° | 0.2° |
H4 | C17 | C16 | H16 | 0.2° | 0.3° |
H4 | C17 | C18 | H17 | 0.3° | 0.1° |
H5 | C20 | C21 | H6 | 0.3° | 0.2° |
H6 | C21 | C22 | H7 | 0.3° | 0.0° |
H9 | C26 | C25 | H19 | 0.6° | 0.0° |
H10 | C28 | C29 | H20 | 0.8° | 0.0° |
H12 | C06 | C07 | H14 | 60.7° | 180.0° |
H12 | C06 | C07 | H15 | 60.2° | 60.0° |
H13 | C06 | C07 | H14 | 58.2° | 60.0° |
H13 | C06 | C07 | H15 | 179.2° | 180.0° |
H14 | C07 | O08 | H31 | 60.5° | 60.0° |
H15 | C07 | O08 | H31 | 60.5° | 60.0° |
H17 | C18 | C19 | H18 | 0.1° | 0.4° |
H21 | C31 | H22 | H23 | 120.0° | 119.9° |
H24 | C32 | H25 | H26 | 120.0° | 120.0° |
H27 | C33 | H28 | H29 | 120.0° | 119.9° |