7HY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.40Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.45Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.42Å | Aromatic |
| C07 | N06 | sing | 1.46Å | 1.50Å | |
| N06 | C05 | sing | 1.35Å | 1.40Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C05 | O18 | doub | 1.21Å | 1.24Å | |
| C04 | C19 | sing | 1.53Å | 1.50Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| N03 | C02 | sing | 1.35Å | 1.40Å | |
| C02 | C20 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | N23 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | sing | 1.51Å | 1.49Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C20 | N29 | sing | 1.47Å | 1.43Å | |
| C33 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| N29 | C30 | sing | 1.35Å | 1.39Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | O39 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| N23 | C22 | sing | 1.35Å | 1.44Å | |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| C22 | O28 | doub | 1.21Å | 1.24Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| N06 | H9 | sing | 0.97Å | 1.00Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 119.8° | 121.0° |
| C10 | C11 | C12 | 120.5° | 119.7° |
| C11 | C10 | H1 | 120.1° | 119.4° |
| C10 | C11 | H2 | 119.7° | 120.2° |
| C10 | C09 | C08 | 121.1° | 121.0° |
| C09 | C10 | H1 | 120.1° | 119.5° |
| C10 | C09 | H12 | 119.5° | 119.5° |
| C11 | C12 | C17 | 121.1° | 121.3° |
| C11 | C12 | C13 | 119.2° | 119.3° |
| C12 | C11 | H2 | 119.7° | 120.1° |
| C09 | C08 | C13 | 118.8° | 119.7° |
| C09 | C08 | C07 | 119.9° | 120.1° |
| C08 | C09 | H12 | 119.5° | 119.5° |
| C17 | C12 | C13 | 119.7° | 119.4° |
| C12 | C17 | C16 | 122.4° | 119.7° |
| C12 | C17 | H6 | 118.8° | 120.1° |
| C12 | C13 | C08 | 120.5° | 119.4° |
| C12 | C13 | C14 | 116.8° | 119.3° |
| C13 | C08 | C07 | 121.3° | 120.2° |
| C08 | C13 | C14 | 122.7° | 121.3° |
| C08 | C07 | N06 | 117.9° | 109.5° |
| C08 | C07 | H10 | 107.3° | 109.4° |
| C08 | C07 | H11 | 107.3° | 109.5° |
| C17 | C16 | C15 | 118.6° | 120.9° |
| C17 | C16 | H5 | 120.7° | 119.5° |
| C16 | C17 | H6 | 118.8° | 120.2° |
| C13 | C14 | C15 | 123.5° | 119.7° |
| C13 | C14 | H3 | 118.3° | 120.2° |
| C07 | N06 | C05 | 123.4° | 120.0° |
| C07 | N06 | H9 | 118.3° | 120.0° |
| N06 | C07 | H10 | 107.3° | 109.5° |
| N06 | C07 | H11 | 107.4° | 109.5° |
| N06 | C05 | C04 | 123.1° | 120.0° |
| N06 | C05 | O18 | 119.9° | 120.0° |
| C05 | N06 | H9 | 118.3° | 120.0° |
| C16 | C15 | C14 | 119.1° | 121.0° |
| C16 | C15 | H4 | 120.5° | 119.5° |
| C15 | C16 | H5 | 120.7° | 119.5° |
| C15 | C14 | H3 | 118.2° | 120.1° |
| C14 | C15 | H4 | 120.4° | 119.5° |
| C04 | C05 | O18 | 116.9° | 120.0° |
| C05 | C04 | C19 | 109.7° | 109.5° |
| C05 | C04 | N03 | 108.1° | 109.5° |
| C05 | C04 | H8 | 109.4° | 109.5° |
| C19 | C04 | N03 | 109.0° | 109.4° |
| C19 | C04 | H8 | 109.9° | 109.5° |
| C04 | C19 | H13 | 109.5° | 109.5° |
| C04 | C19 | H14 | 109.5° | 109.4° |
| C04 | C19 | H15 | 109.5° | 109.5° |
| C04 | N03 | C02 | 122.1° | 120.0° |
| C04 | N03 | H7 | 118.9° | 120.0° |
| N03 | C04 | H8 | 110.7° | 109.5° |
| O01 | C02 | N03 | 120.1° | 119.9° |
| O01 | C02 | C20 | 119.6° | 120.0° |
| C27 | C26 | N23 | 113.6° | 109.4° |
| C27 | C26 | H24 | 108.4° | 109.5° |
| C27 | C26 | H25 | 108.4° | 109.5° |
| C26 | C27 | H26 | 109.5° | 109.4° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H28 | 109.5° | 109.5° |
| N03 | C02 | C20 | 120.3° | 120.0° |
| C02 | N03 | H7 | 118.9° | 120.0° |
| C02 | C20 | C21 | 105.2° | 109.5° |
| C02 | C20 | N29 | 108.1° | 109.5° |
| C02 | C20 | H16 | 110.5° | 109.5° |
| C35 | C34 | C33 | 120.9° | 120.0° |
| C34 | C35 | C36 | 120.6° | 120.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | H35 | 119.7° | 120.0° |
| C34 | C33 | C32 | 123.1° | 120.0° |
| C34 | C33 | C38 | 118.0° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C35 | C36 | C37 | 118.9° | 120.0° |
| C36 | C35 | H35 | 119.7° | 120.0° |
| C35 | C36 | H36 | 120.6° | 120.0° |
| C26 | N23 | C22 | 122.5° | 120.0° |
| C26 | N23 | C24 | 118.0° | 120.0° |
| N23 | C26 | H24 | 108.4° | 109.5° |
| N23 | C26 | H25 | 108.4° | 109.5° |
| C20 | C21 | C22 | 120.8° | 109.5° |
| C21 | C20 | N29 | 110.3° | 109.5° |
| C21 | C20 | H16 | 110.2° | 109.4° |
| C20 | C21 | H17 | 106.5° | 109.5° |
| C20 | C21 | H18 | 106.6° | 109.5° |
| C21 | C22 | N23 | 120.3° | 120.0° |
| C21 | C22 | O28 | 119.7° | 120.0° |
| C22 | C21 | H17 | 106.6° | 109.4° |
| C22 | C21 | H18 | 106.6° | 109.5° |
| C33 | C32 | C31 | 116.6° | 109.5° |
| C32 | C33 | C38 | 118.9° | 120.0° |
| C33 | C32 | H32 | 107.7° | 109.5° |
| C33 | C32 | H33 | 107.7° | 109.5° |
| C32 | C31 | C30 | 114.7° | 109.5° |
| C32 | C31 | H30 | 108.1° | 109.5° |
| C32 | C31 | H31 | 108.1° | 109.4° |
| C31 | C32 | H32 | 107.7° | 109.4° |
| C31 | C32 | H33 | 107.7° | 109.5° |
| C20 | N29 | C30 | 122.2° | 120.0° |
| N29 | C20 | H16 | 112.3° | 109.5° |
| C20 | N29 | H29 | 118.9° | 120.0° |
| C33 | C38 | C37 | 121.9° | 120.1° |
| C33 | C38 | H38 | 119.1° | 120.0° |
| N29 | C30 | O39 | 117.6° | 120.0° |
| N29 | C30 | C31 | 121.7° | 120.0° |
| C30 | N29 | H29 | 118.9° | 120.0° |
| C36 | C37 | C38 | 119.7° | 119.9° |
| C37 | C36 | H36 | 120.6° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| O39 | C30 | C31 | 120.7° | 120.0° |
| C30 | C31 | H30 | 108.1° | 109.5° |
| C30 | C31 | H31 | 108.1° | 109.5° |
| C22 | N23 | C24 | 119.5° | 120.0° |
| N23 | C22 | O28 | 120.1° | 120.0° |
| N23 | C24 | C25 | 114.0° | 109.5° |
| N23 | C24 | H19 | 108.3° | 109.5° |
| N23 | C24 | H20 | 108.3° | 109.5° |
| C38 | C37 | H37 | 120.1° | 120.1° |
| C37 | C38 | H38 | 119.0° | 120.0° |
| C25 | C24 | H19 | 108.3° | 109.5° |
| C25 | C24 | H20 | 108.3° | 109.5° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.4° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.4° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H28 | 109.4° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.9° |
| C10 | C11 | C12 | H2 | 180.0° | 179.6° |
| C11 | C10 | C09 | C08 | 0.1° | 0.4° |
| C10 | C11 | C12 | C17 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.1° | 0.4° |
| C11 | C10 | C09 | H12 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C08 | H12 | 180.0° | 179.5° |
| C10 | C09 | C08 | C13 | 0.1° | 0.7° |
| C10 | C09 | C08 | C07 | 179.2° | 179.7° |
| C09 | C10 | C11 | H2 | 180.0° | 179.7° |
| C11 | C12 | C17 | C13 | 179.8° | 180.0° |
| C11 | C12 | C13 | C08 | 0.3° | 0.1° |
| C11 | C12 | C17 | C16 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.9° |
| C11 | C12 | C17 | H6 | 0.1° | 0.0° |
| C09 | C08 | C13 | C12 | 0.2° | 0.5° |
| C09 | C08 | C13 | C07 | 179.2° | 179.5° |
| C09 | C08 | C13 | C14 | 179.7° | 179.5° |
| C09 | C08 | C07 | N06 | 103.7° | 100.5° |
| C08 | C09 | C10 | H1 | 179.9° | 179.5° |
| C09 | C08 | C07 | H10 | 135.1° | 139.6° |
| C09 | C08 | C07 | H11 | 17.5° | 19.5° |
| C17 | C12 | C13 | C08 | 179.9° | 180.0° |
| C12 | C17 | C16 | H6 | 180.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.1° |
| C17 | C12 | C11 | H2 | 0.0° | 0.1° |
| C12 | C17 | C16 | H5 | 179.6° | 180.0° |
| C12 | C13 | C08 | C14 | 179.9° | 180.0° |
| C12 | C13 | C08 | C07 | 179.4° | 180.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | H2 | 179.8° | 179.9° |
| C12 | C13 | C14 | H3 | 179.8° | 180.0° |
| C13 | C12 | C17 | H6 | 179.9° | 180.0° |
| C13 | C08 | C07 | N06 | 77.1° | 79.9° |
| C08 | C13 | C14 | C15 | 179.9° | 180.0° |
| C08 | C13 | C14 | H3 | 0.1° | 0.1° |
| C13 | C08 | C07 | H10 | 44.1° | 40.0° |
| C13 | C08 | C07 | H11 | 161.6° | 160.0° |
| C13 | C08 | C09 | H12 | 179.9° | 179.7° |
| C07 | C08 | C13 | C14 | 0.5° | 0.1° |
| C08 | C07 | N06 | H10 | 121.2° | 119.9° |
| C08 | C07 | N06 | H11 | 121.2° | 120.0° |
| C08 | C07 | N06 | C05 | 106.1° | 179.9° |
| C08 | C07 | N06 | H9 | 73.9° | 0.0° |
| C08 | C07 | H10 | H11 | 116.2° | 120.0° |
| C07 | C08 | C09 | H12 | 0.8° | 0.2° |
| C17 | C16 | C15 | H5 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.4° | 0.1° |
| C17 | C16 | C15 | H4 | 179.6° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.8° | 179.9° |
| C07 | N06 | C05 | H9 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 179.9° | 180.0° |
| C07 | N06 | C05 | O18 | 0.9° | 0.0° |
| N06 | C07 | H10 | H11 | 116.2° | 120.0° |
| N06 | C05 | C04 | O18 | 179.2° | 179.9° |
| N06 | C05 | C04 | C19 | 87.0° | 60.1° |
| N06 | C05 | C04 | N03 | 154.3° | 180.0° |
| N06 | C05 | C04 | H8 | 33.7° | 59.9° |
| C05 | N06 | C07 | H10 | 15.1° | 60.0° |
| C05 | N06 | C07 | H11 | 132.7° | 60.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | H3 | 179.8° | 180.0° |
| C15 | C16 | C17 | H6 | 179.6° | 179.9° |
| C14 | C15 | C16 | H5 | 179.5° | 180.0° |
| C05 | C04 | C19 | N03 | 118.2° | 120.0° |
| C05 | C04 | C19 | H8 | 120.4° | 120.1° |
| C05 | C04 | N03 | H8 | 119.8° | 120.1° |
| C05 | C04 | N03 | C02 | 103.2° | 155.1° |
| C05 | C04 | N03 | H7 | 76.7° | 25.0° |
| C04 | C05 | N06 | H9 | 0.1° | 0.1° |
| C05 | C04 | C19 | H13 | 180.0° | 59.9° |
| C05 | C04 | C19 | H14 | 60.0° | 60.1° |
| C05 | C04 | C19 | H15 | 60.0° | 180.0° |
| O18 | C05 | C04 | C19 | 93.8° | 120.0° |
| O18 | C05 | C04 | N03 | 24.9° | 0.0° |
| O18 | C05 | C04 | H8 | 145.5° | 120.0° |
| O18 | C05 | N06 | H9 | 179.1° | 180.0° |
| C19 | C04 | N03 | H8 | 121.0° | 120.0° |
| C19 | C04 | N03 | C02 | 137.6° | 85.0° |
| C19 | C04 | N03 | H7 | 42.4° | 95.0° |
| C04 | C19 | H13 | H14 | 120.0° | 120.0° |
| C04 | C19 | H13 | H15 | 120.0° | 120.0° |
| C04 | C19 | H14 | H15 | 120.0° | 119.9° |
| C04 | N03 | C02 | O01 | 1.1° | 0.1° |
| C04 | N03 | C02 | H7 | 180.0° | 179.9° |
| C04 | N03 | C02 | C20 | 178.5° | 180.0° |
| N03 | C04 | C19 | H13 | 61.8° | 60.0° |
| N03 | C04 | C19 | H14 | 58.1° | 180.0° |
| N03 | C04 | C19 | H15 | 178.2° | 60.0° |
| O01 | C02 | N03 | C20 | 179.6° | 179.9° |
| O01 | C02 | C20 | C21 | 77.8° | 120.0° |
| O01 | C02 | C20 | N29 | 40.1° | 0.0° |
| O01 | C02 | N03 | H7 | 178.9° | 180.0° |
| O01 | C02 | C20 | H16 | 163.3° | 120.1° |
| C27 | C26 | N23 | H24 | 120.6° | 120.0° |
| C27 | C26 | N23 | H25 | 120.6° | 120.0° |
| C27 | C26 | N23 | C22 | 85.0° | 90.0° |
| C27 | C26 | N23 | C24 | 94.5° | 90.1° |
| C27 | C26 | H24 | H25 | 118.1° | 120.0° |
| C26 | C27 | H26 | H27 | 120.0° | 120.0° |
| C26 | C27 | H26 | H28 | 120.0° | 120.0° |
| C26 | C27 | H27 | H28 | 120.0° | 120.0° |
| N03 | C02 | C20 | C21 | 101.8° | 59.9° |
| N03 | C02 | C20 | N29 | 140.3° | 180.0° |
| C02 | N03 | C04 | H8 | 16.6° | 35.0° |
| N03 | C02 | C20 | H16 | 17.1° | 60.0° |
| C02 | C20 | C21 | N29 | 116.3° | 120.0° |
| C02 | C20 | C21 | H16 | 119.1° | 120.0° |
| C02 | C20 | C21 | C22 | 166.9° | 174.4° |
| C02 | C20 | N29 | H16 | 122.1° | 120.0° |
| C02 | C20 | N29 | C30 | 67.8° | 81.6° |
| C20 | C02 | N03 | H7 | 1.5° | 0.1° |
| C02 | C20 | C21 | H17 | 71.5° | 65.7° |
| C02 | C20 | C21 | H18 | 45.4° | 54.4° |
| C02 | C20 | N29 | H29 | 112.2° | 98.3° |
| C35 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.1° | 0.3° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C34 | C35 | C36 | H36 | 179.9° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.1° |
| C34 | C33 | C32 | C38 | 179.9° | 179.7° |
| C34 | C33 | C32 | C31 | 90.0° | 89.6° |
| C34 | C33 | C38 | C37 | 0.3° | 0.6° |
| C34 | C33 | C32 | H32 | 31.0° | 30.3° |
| C34 | C33 | C32 | H33 | 149.0° | 150.3° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| C34 | C33 | C38 | H38 | 179.7° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.1° | 0.2° |
| C36 | C35 | C34 | H34 | 179.8° | 180.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| C26 | N23 | C22 | C21 | 0.2° | 0.1° |
| C26 | N23 | C22 | C24 | 179.4° | 179.9° |
| C26 | N23 | C22 | O28 | 179.8° | 180.0° |
| C26 | N23 | C24 | C25 | 107.2° | 90.0° |
| C26 | N23 | C24 | H19 | 13.5° | 30.0° |
| C26 | N23 | C24 | H20 | 132.1° | 150.0° |
| N23 | C26 | H24 | H25 | 118.1° | 120.0° |
| N23 | C26 | C27 | H26 | 180.0° | 180.0° |
| N23 | C26 | C27 | H27 | 60.0° | 60.0° |
| N23 | C26 | C27 | H28 | 60.0° | 60.1° |
| C20 | C21 | C22 | H17 | 121.6° | 120.0° |
| C20 | C21 | C22 | H18 | 121.6° | 120.0° |
| C21 | C20 | N29 | H16 | 123.4° | 120.0° |
| C21 | C20 | N29 | C30 | 177.7° | 158.4° |
| C20 | C21 | C22 | N23 | 142.4° | 174.8° |
| C20 | C21 | C22 | O28 | 37.2° | 5.3° |
| C20 | C21 | H17 | H18 | 114.9° | 120.0° |
| C21 | C20 | N29 | H29 | 2.3° | 21.7° |
| C22 | C21 | C20 | N29 | 76.8° | 65.6° |
| C21 | C22 | N23 | O28 | 179.5° | 180.0° |
| C21 | C22 | N23 | C24 | 179.6° | 180.0° |
| C22 | C21 | C20 | H16 | 47.8° | 54.4° |
| C22 | C21 | H17 | H18 | 114.9° | 120.0° |
| C33 | C32 | C31 | H32 | 121.0° | 120.0° |
| C33 | C32 | C31 | H33 | 121.0° | 120.1° |
| C33 | C32 | C31 | C30 | 177.1° | 180.0° |
| C32 | C33 | C38 | C37 | 179.8° | 179.8° |
| C33 | C32 | C31 | H30 | 62.1° | 60.0° |
| C33 | C32 | C31 | H31 | 56.3° | 60.0° |
| C33 | C32 | H32 | H33 | 116.8° | 120.0° |
| C32 | C33 | C34 | H34 | 0.1° | 0.1° |
| C32 | C33 | C38 | H38 | 0.2° | 0.1° |
| C31 | C32 | C33 | C38 | 89.9° | 90.0° |
| C32 | C31 | C30 | N29 | 137.7° | 179.8° |
| C32 | C31 | C30 | O39 | 42.1° | 0.0° |
| C32 | C31 | C30 | H30 | 120.8° | 120.0° |
| C32 | C31 | C30 | H31 | 120.8° | 119.9° |
| C32 | C31 | H30 | H31 | 117.6° | 120.0° |
| C31 | C32 | H32 | H33 | 116.8° | 120.0° |
| C20 | N29 | C30 | H29 | 180.0° | 180.0° |
| C20 | N29 | C30 | O39 | 0.0° | 4.9° |
| C20 | N29 | C30 | C31 | 179.8° | 174.8° |
| N29 | C20 | C21 | H17 | 44.8° | 54.3° |
| N29 | C20 | C21 | H18 | 161.7° | 174.4° |
| C33 | C38 | C37 | C36 | 0.3° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.7° |
| C38 | C33 | C32 | H32 | 149.1° | 150.1° |
| C38 | C33 | C32 | H33 | 31.1° | 30.1° |
| C38 | C33 | C34 | H34 | 180.0° | 179.7° |
| C33 | C38 | C37 | H37 | 179.7° | 179.7° |
| N29 | C30 | O39 | C31 | 179.8° | 179.7° |
| C30 | N29 | C20 | H16 | 54.3° | 38.4° |
| N29 | C30 | C31 | H30 | 101.6° | 59.7° |
| N29 | C30 | C31 | H31 | 16.9° | 60.3° |
| C36 | C37 | C38 | H37 | 180.0° | 179.8° |
| C37 | C36 | C35 | H35 | 179.9° | 180.0° |
| C36 | C37 | C38 | H38 | 179.7° | 179.8° |
| O39 | C30 | N29 | H29 | 180.0° | 175.1° |
| O39 | C30 | C31 | H30 | 78.6° | 120.0° |
| O39 | C30 | C31 | H31 | 162.9° | 120.0° |
| C31 | C30 | N29 | H29 | 0.2° | 5.2° |
| C30 | C31 | H30 | H31 | 117.6° | 120.0° |
| C30 | C31 | C32 | H32 | 56.1° | 60.0° |
| C30 | C31 | C32 | H33 | 61.9° | 59.9° |
| C22 | N23 | C24 | C25 | 73.3° | 90.0° |
| N23 | C22 | C21 | H17 | 20.8° | 54.8° |
| N23 | C22 | C21 | H18 | 96.1° | 65.3° |
| C22 | N23 | C24 | H19 | 166.0° | 150.0° |
| C22 | N23 | C24 | H20 | 47.4° | 30.0° |
| C22 | N23 | C26 | H24 | 35.6° | 150.0° |
| C22 | N23 | C26 | H25 | 154.4° | 30.0° |
| C24 | N23 | C22 | O28 | 0.8° | 0.0° |
| N23 | C24 | C25 | H19 | 120.7° | 120.0° |
| N23 | C24 | C25 | H20 | 120.7° | 120.0° |
| N23 | C24 | H19 | H20 | 117.9° | 120.0° |
| N23 | C24 | C25 | H21 | 180.0° | 60.0° |
| N23 | C24 | C25 | H22 | 60.0° | 60.0° |
| N23 | C24 | C25 | H23 | 60.0° | 180.0° |
| C24 | N23 | C26 | H24 | 144.9° | 30.0° |
| C24 | N23 | C26 | H25 | 26.2° | 150.0° |
| O28 | C22 | C21 | H17 | 158.8° | 125.2° |
| O28 | C22 | C21 | H18 | 84.4° | 114.7° |
| C38 | C37 | C36 | H36 | 179.9° | 179.9° |
| C25 | C24 | H19 | H20 | 118.0° | 120.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H23 | 120.0° | 120.1° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| H1 | C10 | C11 | H2 | 0.1° | 0.4° |
| H1 | C10 | C09 | H12 | 0.1° | 0.0° |
| H3 | C14 | C15 | H4 | 0.2° | 0.0° |
| H4 | C15 | C16 | H5 | 0.5° | 0.0° |
| H5 | C16 | C17 | H6 | 0.4° | 0.0° |
| H7 | N03 | C04 | H8 | 163.4° | 145.1° |
| H8 | C04 | C19 | H13 | 59.7° | 180.0° |
| H8 | C04 | C19 | H14 | 179.6° | 60.0° |
| H8 | C04 | C19 | H15 | 60.4° | 59.9° |
| H9 | N06 | C07 | H10 | 164.9° | 120.0° |
| H9 | N06 | C07 | H11 | 47.3° | 120.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C20 | C21 | H17 | 169.4° | 174.3° |
| H16 | C20 | C21 | H18 | 73.7° | 65.6° |
| H16 | C20 | N29 | H29 | 125.7° | 141.6° |
| H19 | C24 | C25 | H21 | 59.3° | 180.0° |
| H19 | C24 | C25 | H22 | 179.3° | 60.0° |
| H19 | C24 | C25 | H23 | 60.7° | 60.0° |
| H20 | C24 | C25 | H21 | 59.3° | 60.0° |
| H20 | C24 | C25 | H22 | 60.7° | 180.0° |
| H20 | C24 | C25 | H23 | 179.4° | 60.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | C27 | H26 | 59.4° | 60.0° |
| H24 | C26 | C27 | H27 | 60.6° | 180.0° |
| H24 | C26 | C27 | H28 | 179.4° | 60.0° |
| H25 | C26 | C27 | H26 | 59.3° | 60.0° |
| H25 | C26 | C27 | H27 | 179.4° | 60.0° |
| H25 | C26 | C27 | H28 | 60.6° | 180.0° |
| H26 | C27 | H27 | H28 | 120.0° | 120.0° |
| H30 | C31 | C32 | H32 | 176.8° | 60.0° |
| H30 | C31 | C32 | H33 | 58.9° | 179.9° |
| H31 | C31 | C32 | H32 | 64.7° | 180.0° |
| H31 | C31 | C32 | H33 | 177.4° | 60.0° |
| H34 | C34 | C35 | H35 | 0.2° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.1° |
| H37 | C37 | C38 | H38 | 0.3° | 0.0° |
