3ZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O26 | sing | 1.43Å | 1.44Å | |
| C35 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | N29 | sing | 1.46Å | 1.46Å | |
| O26 | C25 | sing | 1.43Å | 1.45Å | |
| N29 | C28 | sing | 1.35Å | 1.35Å | |
| N1 | C5 | sing | 1.49Å | 1.48Å | |
| N1 | C2 | sing | 1.48Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C28 | O7 | sing | 1.35Å | 1.33Å | |
| C28 | O30 | doub | 1.21Å | 1.22Å | |
| O7 | C4 | sing | 1.45Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | O22 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C3 | C6 | sing | 1.53Å | 1.55Å | |
| O22 | C16 | sing | 1.36Å | 1.41Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C6 | N8 | sing | 1.46Å | 1.48Å | |
| C18 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| O19 | C12 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N8 | C12 | sing | 1.35Å | 1.39Å | |
| N8 | C9 | sing | 1.46Å | 1.49Å | |
| C12 | C13 | sing | 1.48Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | O20 | sing | 1.36Å | 1.41Å | |
| C15 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C14 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H22 | sing | 1.01Å | 1.00Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| N29 | H33 | sing | 0.97Å | 1.00Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C35 | H38 | sing | 1.08Å | 1.08Å | |
| C36 | H39 | sing | 1.08Å | 1.08Å | |
| C37 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O26 | C25 | 114.1° | 114.0° |
| O26 | C27 | H19 | 109.5° | 109.4° |
| O26 | C27 | H20 | 109.4° | 109.4° |
| O26 | C27 | H21 | 109.5° | 109.5° |
| C37 | C35 | C34 | 120.3° | 120.0° |
| C35 | C37 | C32 | 119.7° | 120.0° |
| C37 | C35 | H38 | 119.9° | 120.0° |
| C35 | C37 | H40 | 120.2° | 120.0° |
| C35 | C34 | C36 | 120.6° | 120.0° |
| C35 | C34 | H37 | 119.7° | 119.9° |
| C34 | C35 | H38 | 119.9° | 120.0° |
| C37 | C32 | C31 | 119.9° | 120.0° |
| C37 | C32 | C33 | 119.4° | 120.1° |
| C32 | C37 | H40 | 120.2° | 120.1° |
| C34 | C36 | C33 | 118.7° | 120.0° |
| C36 | C34 | H37 | 119.7° | 120.0° |
| C34 | C36 | H39 | 120.7° | 120.0° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C32 | C31 | N29 | 111.2° | 109.5° |
| C32 | C31 | H34 | 109.1° | 109.5° |
| C32 | C31 | H35 | 109.1° | 109.5° |
| C32 | C33 | C36 | 121.3° | 120.0° |
| C32 | C33 | H36 | 119.4° | 120.0° |
| C36 | C33 | H36 | 119.3° | 120.0° |
| C33 | C36 | H39 | 120.6° | 120.0° |
| C31 | N29 | C28 | 120.0° | 120.0° |
| C31 | N29 | H33 | 120.0° | 120.0° |
| N29 | C31 | H34 | 109.0° | 109.5° |
| N29 | C31 | H35 | 109.0° | 109.5° |
| O26 | C25 | C24 | 111.3° | 109.5° |
| O26 | C25 | H17 | 109.0° | 109.5° |
| O26 | C25 | H18 | 109.0° | 109.5° |
| N29 | C28 | O7 | 111.7° | 120.0° |
| N29 | C28 | O30 | 126.5° | 120.0° |
| C28 | N29 | H33 | 120.0° | 120.0° |
| C5 | N1 | C2 | 108.7° | 105.8° |
| N1 | C5 | C4 | 106.7° | 103.2° |
| C5 | N1 | H22 | 109.7° | 111.0° |
| N1 | C5 | H25 | 110.2° | 110.6° |
| N1 | C5 | H26 | 110.1° | 110.7° |
| N1 | C2 | C3 | 103.9° | 107.1° |
| N1 | C2 | H1 | 110.9° | 109.9° |
| N1 | C2 | H2 | 110.9° | 110.1° |
| C2 | N1 | H22 | 109.7° | 111.0° |
| C25 | C24 | C23 | 111.7° | 109.5° |
| C25 | C24 | H15 | 108.9° | 109.5° |
| C25 | C24 | H16 | 108.9° | 109.4° |
| C24 | C25 | H17 | 109.0° | 109.5° |
| C24 | C25 | H18 | 109.0° | 109.4° |
| C5 | C4 | O7 | 117.1° | 110.9° |
| C5 | C4 | C3 | 104.8° | 102.9° |
| C5 | C4 | H24 | 109.5° | 110.7° |
| C4 | C5 | H25 | 110.2° | 110.6° |
| C4 | C5 | H26 | 110.2° | 110.7° |
| C2 | C3 | C4 | 106.2° | 105.1° |
| C2 | C3 | C6 | 120.2° | 110.3° |
| C3 | C2 | H1 | 110.8° | 109.9° |
| C3 | C2 | H2 | 110.8° | 109.9° |
| C2 | C3 | H3 | 105.8° | 110.3° |
| O7 | C28 | O30 | 121.8° | 120.0° |
| C28 | O7 | C4 | 118.1° | 117.0° |
| O7 | C4 | C3 | 104.4° | 110.7° |
| O7 | C4 | H24 | 111.0° | 110.6° |
| C24 | C23 | O22 | 112.8° | 109.5° |
| C24 | C23 | H13 | 108.6° | 109.4° |
| C24 | C23 | H14 | 108.6° | 109.5° |
| C23 | C24 | H15 | 108.9° | 109.5° |
| C23 | C24 | H16 | 108.9° | 109.4° |
| C23 | O22 | C16 | 124.2° | 117.0° |
| O22 | C23 | H13 | 108.6° | 109.4° |
| O22 | C23 | H14 | 108.6° | 109.5° |
| C4 | C3 | C6 | 112.2° | 110.3° |
| C4 | C3 | H3 | 105.7° | 110.4° |
| C3 | C4 | H24 | 109.5° | 110.8° |
| C3 | C6 | N8 | 115.3° | 109.5° |
| C6 | C3 | H3 | 105.7° | 110.3° |
| C3 | C6 | H27 | 108.0° | 109.5° |
| C3 | C6 | H28 | 108.0° | 109.5° |
| O22 | C16 | C18 | 123.8° | 120.0° |
| O22 | C16 | C15 | 116.6° | 120.1° |
| C10 | C9 | N8 | 115.6° | 109.5° |
| C10 | C9 | C11 | 111.9° | 109.5° |
| C10 | C9 | H29 | 106.1° | 109.5° |
| C9 | C10 | H30 | 109.5° | 109.5° |
| C9 | C10 | H31 | 109.5° | 109.5° |
| C9 | C10 | H32 | 109.5° | 109.4° |
| C6 | N8 | C12 | 119.2° | 120.0° |
| C6 | N8 | C9 | 119.7° | 120.0° |
| N8 | C6 | H27 | 108.0° | 109.5° |
| N8 | C6 | H28 | 108.0° | 109.5° |
| C16 | C18 | C13 | 120.8° | 119.8° |
| C18 | C16 | C15 | 119.6° | 120.0° |
| C16 | C18 | H9 | 119.6° | 120.1° |
| C18 | C13 | C12 | 118.1° | 120.0° |
| C18 | C13 | C14 | 119.5° | 119.8° |
| C13 | C18 | H9 | 119.6° | 120.1° |
| O19 | C12 | N8 | 123.6° | 120.0° |
| O19 | C12 | C13 | 111.1° | 120.0° |
| C16 | C15 | O20 | 116.3° | 119.9° |
| C16 | C15 | C17 | 119.4° | 120.2° |
| C12 | N8 | C9 | 120.3° | 120.0° |
| N8 | C12 | C13 | 125.0° | 120.0° |
| N8 | C9 | C11 | 109.7° | 109.4° |
| N8 | C9 | H29 | 106.8° | 109.5° |
| C12 | C13 | C14 | 122.4° | 120.1° |
| C9 | C11 | H4 | 109.5° | 109.5° |
| C9 | C11 | H5 | 109.5° | 109.4° |
| C9 | C11 | H6 | 109.4° | 109.5° |
| C11 | C9 | H29 | 106.2° | 109.4° |
| C13 | C14 | C17 | 120.2° | 120.0° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| O20 | C15 | C17 | 124.3° | 119.9° |
| C15 | O20 | C21 | 122.7° | 117.0° |
| C15 | C17 | C14 | 120.4° | 120.2° |
| C15 | C17 | H8 | 119.8° | 119.9° |
| O20 | C21 | H10 | 109.5° | 109.4° |
| O20 | C21 | H11 | 109.5° | 109.4° |
| O20 | C21 | H12 | 109.5° | 109.5° |
| C17 | C14 | H7 | 119.9° | 120.0° |
| C14 | C17 | H8 | 119.8° | 119.9° |
| H1 | C2 | H2 | 109.4° | 109.9° |
| H4 | C11 | H5 | 109.4° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C27 | H20 | 109.4° | 109.6° |
| H19 | C27 | H21 | 109.5° | 109.4° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H25 | C5 | H26 | 109.5° | 110.7° |
| H27 | C6 | H28 | 109.5° | 109.5° |
| H30 | C10 | H31 | 109.5° | 109.5° |
| H30 | C10 | H32 | 109.5° | 109.5° |
| H31 | C10 | H32 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | O26 | C25 | C24 | 131.2° | 180.0° |
| C27 | O26 | C25 | H17 | 108.5° | 59.9° |
| C27 | O26 | C25 | H18 | 10.9° | 60.0° |
| O26 | C27 | H19 | H20 | 120.0° | 120.0° |
| O26 | C27 | H19 | H21 | 120.0° | 119.9° |
| O26 | C27 | H20 | H21 | 120.0° | 120.0° |
| C37 | C35 | C34 | H38 | 180.0° | 179.9° |
| C35 | C37 | C32 | H40 | 180.0° | 179.8° |
| C37 | C35 | C34 | C36 | 0.8° | 0.4° |
| C35 | C37 | C32 | C31 | 178.9° | 180.0° |
| C35 | C37 | C32 | C33 | 1.4° | 0.2° |
| C37 | C35 | C34 | H37 | 179.2° | 179.9° |
| C34 | C35 | C37 | C32 | 0.1° | 0.1° |
| C35 | C34 | C36 | H37 | 180.0° | 179.7° |
| C35 | C34 | C36 | C33 | 0.0° | 0.3° |
| C35 | C34 | C36 | H39 | 180.0° | 179.7° |
| C34 | C35 | C37 | H40 | 179.9° | 180.0° |
| C37 | C32 | C31 | C33 | 179.6° | 179.8° |
| C37 | C32 | C33 | C36 | 2.3° | 0.3° |
| C37 | C32 | C31 | N29 | 41.4° | 90.2° |
| C37 | C32 | C31 | H34 | 161.6° | 149.7° |
| C37 | C32 | C31 | H35 | 78.9° | 29.8° |
| C37 | C32 | C33 | H36 | 177.7° | 179.7° |
| C32 | C37 | C35 | H38 | 179.9° | 180.0° |
| C34 | C36 | C33 | C32 | 1.6° | 0.0° |
| C34 | C36 | C33 | H39 | 180.0° | 180.0° |
| C34 | C36 | C33 | H36 | 178.4° | 180.0° |
| C36 | C34 | C35 | H38 | 179.2° | 179.7° |
| C31 | C32 | C33 | C36 | 178.1° | 180.0° |
| C32 | C31 | N29 | H34 | 120.3° | 120.0° |
| C32 | C31 | N29 | H35 | 120.3° | 120.0° |
| C32 | C31 | N29 | C28 | 80.3° | 180.0° |
| C32 | C31 | N29 | H33 | 99.7° | 0.0° |
| C32 | C31 | H34 | H35 | 119.2° | 120.0° |
| C31 | C32 | C33 | H36 | 1.9° | 0.0° |
| C31 | C32 | C37 | H40 | 1.1° | 0.1° |
| C32 | C33 | C36 | H36 | 180.0° | 180.0° |
| C33 | C32 | C31 | N29 | 138.2° | 90.0° |
| C33 | C32 | C31 | H34 | 18.0° | 30.0° |
| C33 | C32 | C31 | H35 | 101.5° | 150.0° |
| C32 | C33 | C36 | H39 | 178.4° | 179.9° |
| C33 | C32 | C37 | H40 | 178.6° | 179.6° |
| C33 | C36 | C34 | H37 | 180.0° | 180.0° |
| C31 | N29 | C28 | H33 | 180.0° | 180.0° |
| C31 | N29 | C28 | O7 | 179.5° | 180.0° |
| C31 | N29 | C28 | O30 | 4.1° | 0.0° |
| N29 | C31 | H34 | H35 | 119.2° | 120.0° |
| O26 | C25 | C24 | H17 | 120.3° | 120.1° |
| O26 | C25 | C24 | H18 | 120.3° | 120.0° |
| O26 | C25 | C24 | C23 | 60.5° | 180.0° |
| O26 | C25 | C24 | H15 | 59.9° | 59.9° |
| O26 | C25 | C24 | H16 | 179.2° | 60.0° |
| O26 | C25 | H17 | H18 | 119.2° | 120.0° |
| C25 | O26 | C27 | H19 | 180.0° | 60.0° |
| C25 | O26 | C27 | H20 | 60.0° | 180.0° |
| C25 | O26 | C27 | H21 | 60.0° | 59.9° |
| N29 | C28 | O7 | O30 | 176.5° | 179.9° |
| N29 | C28 | O7 | C4 | 103.8° | 180.0° |
| C28 | N29 | C31 | H34 | 40.0° | 60.0° |
| C28 | N29 | C31 | H35 | 159.4° | 60.0° |
| C5 | N1 | C2 | H22 | 119.9° | 120.5° |
| N1 | C5 | C4 | H25 | 119.6° | 118.4° |
| N1 | C5 | C4 | H26 | 119.5° | 118.5° |
| C5 | N1 | C2 | C3 | 31.8° | 25.3° |
| N1 | C5 | C4 | O7 | 120.4° | 155.9° |
| N1 | C5 | C4 | C3 | 5.3° | 37.5° |
| C5 | N1 | C2 | H1 | 87.3° | 144.7° |
| C5 | N1 | C2 | H2 | 150.9° | 94.2° |
| N1 | C5 | C4 | H24 | 112.2° | 80.9° |
| N1 | C5 | H25 | H26 | 121.2° | 123.1° |
| C2 | N1 | C5 | C4 | 23.6° | 39.3° |
| N1 | C2 | C3 | H1 | 119.1° | 119.3° |
| N1 | C2 | C3 | H2 | 119.1° | 119.6° |
| N1 | C2 | C3 | C4 | 27.6° | 1.2° |
| N1 | C2 | C3 | C6 | 101.0° | 117.7° |
| N1 | C2 | H1 | H2 | 122.6° | 121.3° |
| N1 | C2 | C3 | H3 | 139.7° | 120.2° |
| C2 | N1 | C5 | H25 | 143.2° | 157.6° |
| C2 | N1 | C5 | H26 | 96.0° | 79.3° |
| C25 | C24 | C23 | H15 | 120.3° | 120.1° |
| C25 | C24 | C23 | H16 | 120.3° | 119.9° |
| C25 | C24 | C23 | O22 | 179.7° | 180.0° |
| C25 | C24 | C23 | H13 | 59.2° | 60.1° |
| C25 | C24 | C23 | H14 | 59.8° | 60.0° |
| C25 | C24 | H15 | H16 | 119.0° | 120.0° |
| C24 | C25 | H17 | H18 | 119.2° | 120.0° |
| C5 | C4 | C3 | C2 | 13.6° | 22.0° |
| C5 | C4 | O7 | C28 | 59.3° | 96.4° |
| C5 | C4 | O7 | C3 | 115.3° | 113.5° |
| C5 | C4 | O7 | H24 | 126.8° | 123.3° |
| C5 | C4 | C3 | H24 | 117.4° | 118.4° |
| C5 | C4 | C3 | C6 | 119.5° | 140.9° |
| C5 | C4 | C3 | H3 | 125.7° | 97.0° |
| C4 | C5 | N1 | H22 | 143.5° | 159.7° |
| C4 | C5 | H25 | H26 | 121.3° | 123.1° |
| C2 | C3 | C4 | O7 | 110.0° | 140.5° |
| C2 | C3 | C4 | C6 | 133.1° | 118.9° |
| C2 | C3 | C4 | H3 | 112.1° | 119.0° |
| C2 | C3 | C6 | H3 | 119.4° | 122.1° |
| C2 | C3 | C6 | N8 | 75.6° | 68.6° |
| C3 | C2 | H1 | H2 | 122.5° | 121.1° |
| C3 | C2 | N1 | H22 | 151.7° | 145.8° |
| C2 | C3 | C4 | H24 | 131.0° | 96.4° |
| C2 | C3 | C6 | H27 | 45.3° | 51.4° |
| C2 | C3 | C6 | H28 | 163.6° | 171.4° |
| C28 | O7 | C4 | C3 | 174.7° | 150.0° |
| C28 | O7 | C4 | H24 | 67.4° | 26.8° |
| O7 | C28 | N29 | H33 | 0.5° | 0.0° |
| O30 | C28 | O7 | C4 | 79.7° | 0.0° |
| O30 | C28 | N29 | H33 | 175.8° | 180.0° |
| O7 | C4 | C3 | H24 | 118.9° | 123.1° |
| O7 | C4 | C3 | C6 | 116.9° | 100.6° |
| O7 | C4 | C3 | H3 | 2.1° | 21.5° |
| O7 | C4 | C5 | H25 | 120.0° | 85.8° |
| O7 | C4 | C5 | H26 | 0.8° | 37.4° |
| C24 | C23 | O22 | H13 | 120.5° | 120.0° |
| C24 | C23 | O22 | H14 | 120.5° | 120.0° |
| C24 | C23 | O22 | C16 | 86.2° | 180.0° |
| C24 | C23 | H13 | H14 | 118.5° | 120.0° |
| C23 | C24 | H15 | H16 | 119.0° | 120.0° |
| C23 | C24 | C25 | H17 | 179.2° | 59.9° |
| C23 | C24 | C25 | H18 | 59.8° | 60.0° |
| C23 | O22 | C16 | C18 | 5.6° | 0.1° |
| C23 | O22 | C16 | C15 | 174.4° | 180.0° |
| O22 | C23 | H13 | H14 | 118.5° | 120.0° |
| O22 | C23 | C24 | H15 | 60.0° | 59.9° |
| O22 | C23 | C24 | H16 | 59.4° | 60.0° |
| C4 | C3 | C6 | H3 | 114.8° | 122.2° |
| C4 | C3 | C6 | N8 | 158.6° | 175.7° |
| C4 | C3 | C2 | H1 | 91.5° | 120.5° |
| C4 | C3 | C2 | H2 | 146.7° | 118.4° |
| C3 | C4 | C5 | H25 | 124.9° | 155.9° |
| C3 | C4 | C5 | H26 | 114.3° | 81.0° |
| C4 | C3 | C6 | H27 | 80.5° | 64.3° |
| C4 | C3 | C6 | H28 | 37.7° | 55.7° |
| C3 | C6 | N8 | H27 | 120.9° | 120.0° |
| C3 | C6 | N8 | H28 | 120.9° | 120.0° |
| C3 | C6 | N8 | C12 | 65.1° | 100.0° |
| C3 | C6 | N8 | C9 | 124.8° | 80.0° |
| C6 | C3 | C2 | H1 | 139.9° | 1.7° |
| C6 | C3 | C2 | H2 | 18.2° | 122.8° |
| C6 | C3 | C4 | H24 | 2.1° | 22.5° |
| C3 | C6 | H27 | H28 | 117.3° | 120.0° |
| O22 | C16 | C18 | C15 | 180.0° | 179.9° |
| O22 | C16 | C18 | C13 | 179.1° | 180.0° |
| O22 | C16 | C15 | O20 | 0.8° | 0.0° |
| O22 | C16 | C15 | C17 | 179.3° | 179.8° |
| O22 | C16 | C18 | H9 | 0.8° | 0.1° |
| C16 | O22 | C23 | H13 | 34.3° | 60.0° |
| C16 | O22 | C23 | H14 | 153.3° | 60.0° |
| C10 | C9 | N8 | C6 | 51.0° | 145.2° |
| C10 | C9 | N8 | C12 | 139.0° | 34.7° |
| C10 | C9 | N8 | C11 | 127.6° | 120.0° |
| C10 | C9 | N8 | H29 | 117.8° | 120.1° |
| C10 | C9 | C11 | H29 | 115.4° | 120.0° |
| C10 | C9 | C11 | H4 | 180.0° | 152.5° |
| C10 | C9 | C11 | H5 | 60.0° | 32.5° |
| C10 | C9 | C11 | H6 | 60.0° | 87.5° |
| C9 | C10 | H30 | H31 | 120.0° | 120.1° |
| C9 | C10 | H30 | H32 | 120.0° | 120.0° |
| C9 | C10 | H31 | H32 | 120.0° | 120.0° |
| C6 | N8 | C12 | O19 | 6.8° | 33.8° |
| C6 | N8 | C12 | C9 | 170.0° | 179.9° |
| C6 | N8 | C12 | C13 | 180.0° | 146.3° |
| C6 | N8 | C9 | C11 | 76.6° | 94.8° |
| N8 | C6 | C3 | H3 | 43.8° | 53.5° |
| N8 | C6 | H27 | H28 | 117.3° | 120.0° |
| C6 | N8 | C9 | H29 | 168.8° | 25.1° |
| C16 | C18 | C13 | H9 | 180.0° | 179.9° |
| C16 | C18 | C13 | C12 | 179.5° | 180.0° |
| C16 | C18 | C13 | C14 | 2.3° | 0.3° |
| C18 | C16 | C15 | O20 | 179.1° | 180.0° |
| C18 | C16 | C15 | C17 | 0.7° | 0.3° |
| C18 | C13 | C12 | O19 | 107.8° | 21.8° |
| C13 | C18 | C16 | C15 | 0.9° | 0.0° |
| C18 | C13 | C12 | N8 | 66.2° | 158.2° |
| C18 | C13 | C12 | C14 | 178.2° | 179.7° |
| C18 | C13 | C14 | C17 | 2.1° | 0.3° |
| C18 | C13 | C14 | H7 | 177.9° | 179.7° |
| O19 | C12 | N8 | C13 | 173.2° | 180.0° |
| O19 | C12 | N8 | C9 | 176.8° | 146.2° |
| O19 | C12 | C13 | C14 | 70.4° | 158.0° |
| C16 | C15 | O20 | C17 | 178.4° | 179.7° |
| C16 | C15 | O20 | C21 | 171.9° | 179.7° |
| C16 | C15 | C17 | C14 | 0.8° | 0.3° |
| C16 | C15 | C17 | H8 | 179.2° | 179.7° |
| C15 | C16 | C18 | H9 | 179.1° | 179.9° |
| C12 | N8 | C9 | C11 | 93.4° | 85.3° |
| N8 | C12 | C13 | C14 | 115.6° | 22.0° |
| C12 | N8 | C6 | H27 | 174.1° | 20.0° |
| C12 | N8 | C6 | H28 | 55.8° | 140.0° |
| C12 | N8 | C9 | H29 | 21.2° | 154.8° |
| C9 | N8 | C12 | C13 | 9.9° | 33.8° |
| N8 | C9 | C11 | H29 | 115.0° | 119.9° |
| N8 | C9 | C11 | H4 | 50.4° | 87.5° |
| N8 | C9 | C11 | H5 | 170.4° | 152.5° |
| N8 | C9 | C11 | H6 | 69.6° | 32.5° |
| C9 | N8 | C6 | H27 | 4.0° | 160.0° |
| C9 | N8 | C6 | H28 | 114.3° | 40.0° |
| N8 | C9 | C10 | H30 | 180.0° | 39.1° |
| N8 | C9 | C10 | H31 | 60.0° | 159.1° |
| N8 | C9 | C10 | H32 | 60.0° | 80.9° |
| C12 | C13 | C14 | C17 | 179.7° | 180.0° |
| C12 | C13 | C14 | H7 | 0.3° | 0.0° |
| C12 | C13 | C18 | H9 | 0.5° | 0.1° |
| C9 | C11 | H4 | H5 | 120.0° | 120.0° |
| C9 | C11 | H4 | H6 | 120.0° | 120.0° |
| C9 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C9 | C10 | H30 | 53.5° | 80.9° |
| C11 | C9 | C10 | H31 | 173.6° | 39.1° |
| C11 | C9 | C10 | H32 | 66.5° | 159.1° |
| C13 | C14 | C17 | C15 | 0.5° | 0.0° |
| C13 | C14 | C17 | H7 | 180.0° | 180.0° |
| C13 | C14 | C17 | H8 | 179.5° | 180.0° |
| C14 | C13 | C18 | H9 | 177.8° | 179.7° |
| O20 | C15 | C17 | C14 | 179.2° | 180.0° |
| O20 | C15 | C17 | H8 | 0.8° | 0.0° |
| C15 | O20 | C21 | H10 | 180.0° | 60.0° |
| C15 | O20 | C21 | H11 | 60.0° | 60.0° |
| C15 | O20 | C21 | H12 | 60.0° | 180.0° |
| C17 | C15 | O20 | C21 | 6.5° | 0.0° |
| C15 | C17 | C14 | H8 | 180.0° | 180.0° |
| C15 | C17 | C14 | H7 | 179.5° | 180.0° |
| O20 | C21 | H10 | H11 | 120.0° | 119.9° |
| O20 | C21 | H10 | H12 | 120.0° | 120.0° |
| O20 | C21 | H11 | H12 | 120.0° | 120.0° |
| H1 | C2 | C3 | H3 | 20.5° | 120.4° |
| H1 | C2 | N1 | H22 | 32.6° | 94.8° |
| H2 | C2 | C3 | H3 | 101.2° | 0.7° |
| H2 | C2 | N1 | H22 | 89.2° | 26.3° |
| H3 | C3 | C4 | H24 | 116.9° | 144.6° |
| H3 | C3 | C6 | H27 | 164.7° | 173.5° |
| H3 | C3 | C6 | H28 | 77.1° | 66.5° |
| H4 | C11 | H5 | H6 | 120.0° | 120.0° |
| H4 | C11 | C9 | H29 | 64.6° | 32.4° |
| H5 | C11 | C9 | H29 | 55.3° | 87.6° |
| H6 | C11 | C9 | H29 | 175.4° | 152.5° |
| H7 | C14 | C17 | H8 | 0.5° | 0.0° |
| H10 | C21 | H11 | H12 | 120.0° | 120.1° |
| H13 | C23 | C24 | H15 | 179.5° | 60.0° |
| H13 | C23 | C24 | H16 | 61.1° | NaN° |
| H14 | C23 | C24 | H15 | 60.5° | 180.0° |
| H14 | C23 | C24 | H16 | 179.8° | 60.0° |
| H15 | C24 | C25 | H17 | 60.4° | 180.0° |
| H15 | C24 | C25 | H18 | 179.9° | 60.0° |
| H16 | C24 | C25 | H17 | 58.9° | 60.0° |
| H16 | C24 | C25 | H18 | 60.6° | 180.0° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
| H22 | N1 | C5 | H25 | 96.9° | 81.9° |
| H22 | N1 | C5 | H26 | 23.9° | 41.2° |
| H24 | C4 | C5 | H25 | 7.4° | 37.4° |
| H24 | C4 | C5 | H26 | 128.3° | 160.6° |
| H29 | C9 | C10 | H30 | 61.8° | 159.1° |
| H29 | C9 | C10 | H31 | 58.2° | 80.9° |
| H29 | C9 | C10 | H32 | 178.2° | 39.1° |
| H30 | C10 | H31 | H32 | 120.0° | 120.0° |
| H33 | N29 | C31 | H34 | 140.0° | 120.0° |
| H33 | N29 | C31 | H35 | 20.6° | 120.0° |
| H36 | C33 | C36 | H39 | 1.6° | 0.1° |
| H37 | C34 | C35 | H38 | 0.8° | 0.0° |
| H37 | C34 | C36 | H39 | 0.0° | 0.0° |
| H38 | C35 | C37 | H40 | 0.1° | 0.1° |
